
      ##############################
      ##                          ##
      ##  Force Field Definition  ##
      ##                          ##
      ##############################


#forcefield              OPLS-AA
#vdwindex                TYPE
#vdwtype                 LENNARD-JONES
#radiusrule              GEOMETRIC
#radiustype              SIGMA
#radiussize              DIAMETER
#epsilonrule             GEOMETRIC
#torsionunit             0.5
#imptorunit              0.5
#vdw-14-scale            2.0
#chg-14-scale            2.0
#electric                332.06
#dielectric              1.0


      #############################
      ##                         ##
      ##  Literature References  ##
      ##                         ##
      #############################


#The parameters supplied with TINKER are from "OPLS All-Atom Parameters
#for Organic Molecules, Ions, Peptides & Nucleic Acids, July 2008" as
#provided by W. L. Jorgensen, Yale University during June 2009. These
#parameters are taken from those distributed with BOSS Version 4.8.

#Note that "atom type" numbers and not "atom class" numbers are used
#to index van der Waals parameters, see the "vdwindex" keyword above

#The atom types with (UA) in the description are "united atom" values,
#ie, OPLS-UA, where any nonpolar hydrogen atoms are combined onto their
#attached atoms. All other parameters are "all-atom", OPLS-AA, including
#explicit hydrogen atoms.


      #############################
      ##                         ##
      ##  Atom Type Definitions  ##
      ##                         ##
      #############################


atom         85   37    CM    "Alkene H2-C="                 6    12.011    3
atom         86   36    HC    "Alkene H-C="                  1     1.008    1


      ################################
      ##                            ##
      ##  Van der Waals Parameters  ##
      ##                            ##
      ################################


vdw           1               2.9400     0.0610
vdw           2               3.9050     0.1180
vdw           3               3.7500     0.1050
vdw           4               2.9600     0.2100
vdw           5               3.0000     0.1700
vdw           6               3.9100     0.1600
vdw           7               0.0000     0.0000
vdw           8               3.7300     0.2940
vdw           9               3.7750     0.2070
vdw          10               3.9050     0.1750
vdw          11               3.9100     0.1600
vdw          12               3.9600     0.1450
vdw          13               3.9050     0.1180
vdw          14               3.8500     0.1400
vdw          15               3.8500     0.0800
vdw          16               3.8000     0.1150
vdw          17               3.7500     0.1100
vdw          18               3.8000     0.0500
vdw          19               3.7500     0.1050
vdw          20               3.0700     0.1700
vdw          21               0.0000     0.0000
vdw          22               3.7750     0.2070
vdw          23               3.9050     0.1180
vdw          24               3.7000     0.2500
vdw          25               3.5500     0.2500
vdw          26               3.5500     0.2500
vdw          27               3.5500     0.2500
vdw          28               0.0000     0.0000
vdw          29               0.0000     0.0000
vdw          30               3.7750     0.2070
vdw          31               3.9050     0.1180
vdw          32               3.8000     0.1700
vdw          33               3.8000     0.1180
vdw          34               3.8000     0.1700
vdw          35               3.8000     0.1180
vdw          36               3.2000     0.1700
vdw          37               3.6500     0.1500
vdw          38               3.7750     0.2070
vdw          39               3.1200     0.1600
vdw          40               0.0000     0.0000
vdw          41               0.0000     0.0000
vdw          42               0.0000     0.0000
vdw          43               2.5560     0.0200
vdw          44               2.7800     0.0690
vdw          45               3.4010     0.2339
vdw          46               3.6240     0.3170
vdw          47               3.9350     0.4330
vdw          48               3.8500     0.0800
vdw          49               3.8000     0.0500
vdw          50               3.0000     0.1700
vdw          51               3.8000     0.1700
vdw          52               3.8000     0.1180
vdw          53              3.15061     0.1521
vdw          54               0.0000     0.0000
vdw          55              3.15365     0.1550
vdw          56               0.0000     0.0000
vdw          57               0.0000     0.0000
vdw          58               3.1760     0.1500
vdw          59               0.0000     0.0000
vdw          60               3.8000     0.1180
vdw          61               3.4000     0.3000
vdw          62               3.8000     0.0800
vdw          63               3.4700     0.3000
vdw          64               3.8000     0.0500
vdw          65               3.4700     0.2660
vdw          66               3.5600     0.3950
vdw          67               2.9300     0.2800
vdw          68               3.8100     0.1600
vdw          69               3.4200     0.1700
vdw          70               0.0000     0.0000
vdw          71               2.9600     0.2100
vdw          72               3.2500     0.1700
vdw          73               3.8000     0.1150
vdw          74               3.8000     0.1700
vdw          75              3.16557     0.1554
vdw          76               0.0000     0.0000
vdw          77               3.5000     0.0660
vdw          78               3.5000     0.0660
vdw          79               3.5000     0.0660
vdw          80               3.5000     0.0660
vdw          81               3.5000     0.0660
vdw          82               2.5000     0.0300
vdw          83               3.5500     0.0760
vdw          84               3.5500     0.0760
vdw          85               3.5500     0.0760
vdw          86               2.4200     0.0300
vdw          87               3.5500     0.0700
vdw          88               2.4200     0.0300
vdw          89               3.5500     0.0700
vdw          90               3.5000     0.0660
vdw          91               3.5000     0.0660
vdw          92               3.5500     0.0760
vdw          93               3.1200     0.1700
vdw          94               0.0000     0.0000
vdw          95               2.5000     0.0300
vdw          96               3.5000     0.0660
vdw          97               3.5000     0.0660
vdw          98               3.5000     0.0660
vdw          99               3.5000     0.0660
vdw         100               3.2500     0.0620


      ##################################
      ##                              ##
      ##  Bond Stretching Parameters  ##
      ##                              ##
      ##################################


bond          1    2          367.00     1.3800
bond          1    3          420.00     1.3570
bond          1   13          367.00     1.3600
bond          1   19          450.00     1.2790
bond          1   23          300.00     0.3000
bond          1   37          420.00     1.3400
bond          1   38          420.00     1.3540
bond          1   72          420.00     1.3540
bond          1   73          420.00     1.3540
bond          1   74          420.00     1.3540
bond          1   77          420.00     1.3540
bond          1   78          420.00     1.3540
bond          1   98          461.00     1.5700
bond          2    2          260.00     1.5260
bond          2    3          317.00     1.5220
bond          2    5          386.00     1.4250
bond          2    6          260.00     1.5260
bond          2   10          260.00     1.5260
bond          2   11          317.00     1.5000
bond          2   12          317.00     1.5100
bond          2   13          260.00     1.5260
bond          2   14          317.00     1.5000
bond          2   15          222.00     1.8100
bond          2   16          222.00     1.8100
bond          2   29          320.00     1.4250
bond          2   33          382.00     1.4480
bond          2   35          337.00     1.4490
bond          2   38          317.00     1.5100
bond          2   41          260.00     1.5260
bond          2   43          367.00     1.4710
bond          2   45          337.00     1.4630
bond          2   70          317.00     1.4950
bond          3    3          350.00     1.5100
bond          3    4          570.00     1.2290
bond          3    5          450.00     1.3640
bond          3    6          317.00     1.5220
bond          3   10          317.00     1.5220
bond          3   12          469.00     1.4000
bond          3   13          317.00     1.5220
bond          3   19          400.00     1.4440
bond          3   29          214.00     1.3270
bond          3   30          300.00     1.7900
bond          3   33          317.00     1.5220
bond          3   35          490.00     1.3350
bond          3   36          340.00     1.0900
bond          3   37          410.00     1.4440
bond          3   38          400.00     1.4900
bond          3   40          385.00     1.4600
bond          3   42          656.00     1.2500
bond          3   46          457.00     1.3580
bond          3   47          418.00     1.3880
bond          3   50          447.00     1.4190
bond          3   55          300.00     1.9800
bond          3   74          400.00     1.4900
bond          3   76          385.00     1.4600
bond          3   95          424.00     1.3830
bond          3   97          490.00     1.3350
bond          4   23          553.00     0.3000
bond          4   54          525.00     1.4800
bond          4   79          570.00     1.2290
bond          4  100          700.00     1.1710
bond          5    6          386.00     1.4250
bond          5    7          553.00     0.9450
bond          5   10          386.00     1.4250
bond          5   13          320.00     1.4100
bond          5   23          340.00     0.3000
bond          5   29          250.00     1.4700
bond          5   33          320.00     1.4500
bond          5   35          400.00     1.3800
bond          5   37          450.00     1.3700
bond          5   38          450.00     1.3640
bond          5   41          320.00     1.3800
bond          5   54          230.00     1.6100
bond          5   69          450.00     1.6700
bond          5   96           94.00     1.8000
bond          5   98          374.00     1.6400
bond          6    6          260.00     1.5260
bond          6   10          260.00     1.5260
bond          6   11          317.00     1.5000
bond          6   13          260.00     1.5260
bond          6   14          317.00     1.5000
bond          6   15          222.00     1.8100
bond          6   16          222.00     1.8100
bond          6   29          320.00     1.4250
bond          6   33          382.00     1.4480
bond          6   35          337.00     1.4490
bond          6   37          317.00     1.5100
bond          6   41          260.00     1.5260
bond          6   43          367.00     1.4710
bond          6   45          337.00     1.4630
bond          6   69          222.00     1.8100
bond          6   95          337.00     1.4750
bond          7   23          340.00     0.1000
bond          7   29          553.00     0.9450
bond          9    9          530.00     1.3400
bond          9   11          530.00     1.3400
bond          9   14          530.00     1.3400
bond         10   10          260.00     1.5260
bond         10   11          317.00     1.5000
bond         10   14          317.00     1.5000
bond         10   29          320.00     1.4250
bond         10   33          382.00     1.4480
bond         10   35          337.00     1.4490
bond         10   95          337.00     1.4750
bond         11   11          530.00     1.3400
bond         11   13          317.00     1.5000
bond         11   14          530.00     1.3400
bond         11   69          222.00     1.7600
bond         12   12          469.00     1.4000
bond         12   38          469.00     1.4000
bond         12   50          469.00     1.4000
bond         12   71          469.00     1.4000
bond         13   13          268.00     1.5290
bond         13   14          317.00     1.5000
bond         13   15          222.00     1.8100
bond         13   16          222.00     1.8100
bond         13   18          390.00     1.4300
bond         13   19          390.00     1.4700
bond         13   23          340.00     0.3000
bond         13   29          320.00     1.4100
bond         13   30          245.00     1.7810
bond         13   31          340.00     1.7900
bond         13   33          382.00     1.4480
bond         13   35          337.00     1.4490
bond         13   36          340.00     1.0900
bond         13   37          317.00     1.5100
bond         13   38          317.00     1.5100
bond         13   40          317.00     1.5100
bond         13   41          268.00     1.5290
bond         13   43          367.00     1.4710
bond         13   45          337.00     1.4630
bond         13   46          337.00     1.4490
bond         13   47          337.00     1.4750
bond         13   50          317.00     1.5100
bond         13   54          212.00     1.8430
bond         13   55          245.00     1.9450
bond         13   56          200.00     2.1900
bond         13   69          340.00     1.7700
bond         13   70          317.00     1.4950
bond         13   73          317.00     1.5040
bond         13   74          317.00     1.5040
bond         13   75          317.00     1.5040
bond         13   77          317.00     1.4950
bond         13   80          337.00     1.4490
bond         13   81          280.00     1.5100
bond         13   85          532.80     1.4600
bond         13   91          382.00     1.4480
bond         13   92          375.00     1.4900
bond         13   94          212.00     1.8200
bond         13   95          337.00     1.4750
bond         13   97          337.00     1.4490
bond         13   98          187.00     1.8600
bond         13   99          317.00     1.5100
bond         14   14          530.00     1.3400
bond         15   17          274.00     1.3360
bond         15   38          250.00     1.7400
bond         16   16          166.00     2.0380
bond         16   19          300.00     1.6850
bond         16   23          340.00     0.5000
bond         16   35          250.00     1.7300
bond         16   37          250.00     1.7600
bond         16   38          250.00     1.7600
bond         16   51          250.00     1.7300
bond         16   72          250.00     1.7600
bond         16   74          250.00     1.7400
bond         16   81          222.00     1.8100
bond         16   98          144.00     2.1500
bond         17   23          340.00     0.1000
bond         18   18          550.00     1.1200
bond         18   19          650.00     1.1570
bond         18   38          400.00     1.4100
bond         18   46          550.00     1.2400
bond         19   19         1150.00     1.2100
bond         19   30          330.00     1.6370
bond         19   36          420.00     1.0800
bond         19   37          400.00     1.4260
bond         19   38          400.00     1.4510
bond         19   40          400.00     1.4260
bond         19   55          330.00     1.7840
bond         19   78          400.00     1.4510
bond         19   81          400.00     1.4510
bond         20   21          600.00     0.9572
bond         20   22          900.00     0.1750
bond         20   96           40.00     2.0500
bond         23   23          340.00     0.3000
bond         23   29          340.00     0.3000
bond         23   30          300.00     0.3000
bond         23   31          340.00     0.5000
bond         23   32          340.00     0.3000
bond         23   33          340.00     0.3000
bond         23   34          340.00     0.1000
bond         23   35          367.00     0.3000
bond         23   36          340.00     0.3000
bond         23   37          340.00     0.3000
bond         23   38          367.00     0.3000
bond         23   39          340.00     0.3000
bond         23   43          340.00     0.3000
bond         23   46          367.00     0.3000
bond         23   51          367.00     0.3000
bond         23   55          300.00     0.3000
bond         23   93          340.00     0.1000
bond         29   29          250.00     1.4700
bond         29   30          200.00     1.6900
bond         29   33          320.00     1.4500
bond         29   35          320.00     1.4500
bond         29   37          450.00     1.3700
bond         29   38          450.00     1.3640
bond         29   41          320.00     1.3800
bond         29   50          340.00     1.3600
bond         29   51          462.00     1.3990
bond         29   54          230.00     1.6100
bond         29   72          462.00     1.3570
bond         29   74          340.00     1.3600
bond         29   98          374.00     1.6400
bond         30   37          300.00     1.7250
bond         30   38          300.00     1.7250
bond         30   72          300.00     1.7250
bond         30   73          300.00     1.7250
bond         30   74          300.00     1.7250
bond         30   77          300.00     1.7250
bond         30   78          300.00     1.7250
bond         30   98          223.00     2.0200
bond         31   32          700.00     1.5300
bond         32   69          700.00     1.4400
bond         33   33          350.00     1.4450
bond         33   34          434.00     1.0100
bond         33   38          481.00     1.3400
bond         33   69          340.00     1.7700
bond         33   81          382.00     1.4480
bond         33   98          266.00     1.7400
bond         34   35          434.00     1.0100
bond         34   43          434.00     1.0100
bond         34   45          434.00     1.0100
bond         34   46          434.00     1.0100
bond         34   47          434.00     1.0100
bond         34   91          434.00     1.0100
bond         34   95          434.00     1.0100
bond         34   98          166.00     1.4800
bond         35   38          427.00     1.3810
bond         35   49          427.00     1.3810
bond         35   69          434.00     1.6700
bond         35   74          427.00     1.3810
bond         35   78          427.00     1.3810
bond         35   81          337.00     1.4490
bond         35   93          500.00     1.2700
bond         35   96           40.00     2.0500
bond         36   37          340.00     1.0800
bond         36   40          340.00     1.0800
bond         36   41          340.00     1.0900
bond         36   70          340.00     1.0800
bond         36   81          340.00     1.0880
bond         36   85          532.80     1.0840
bond         36   98          166.00     1.4800
bond         36   99          340.00     1.0800
bond         37   37          549.00     1.3400
bond         37   38          427.00     1.4330
bond         37   40          549.00     1.3400
bond         37   47          448.00     1.3650
bond         37   48          367.00     1.0800
bond         37   55          300.00     1.9000
bond         37   56          250.00     2.0800
bond         37   76          385.00     1.4600
bond         37   81          317.00     1.5100
bond         37   95          448.00     1.3650
bond         37  100          700.00     1.3050
bond         38   38          469.00     1.4000
bond         38   39          367.00     1.0800
bond         38   40          427.00     1.4330
bond         38   43          400.00     1.4500
bond         38   45          481.00     1.3400
bond         38   46          483.00     1.3390
bond         38   47          427.00     1.3810
bond         38   50          469.00     1.4040
bond         38   51          414.00     1.3910
bond         38   54          220.00     1.7800
bond         38   55          300.00     1.8700
bond         38   56          250.00     2.0800
bond         38   69          340.00     1.7700
bond         38   71          469.00     1.4000
bond         38   74          546.00     1.3670
bond         38   76          469.00     1.4000
bond         38   78          469.00     1.4210
bond         38   81          317.00     1.4900
bond         38   91          382.00     1.3850
bond         38   92          400.00     1.4600
bond         38   99          427.00     1.4330
bond         39   49          367.00     1.0800
bond         39   52          340.00     1.0800
bond         39   72          367.00     1.0800
bond         39   73          367.00     1.0800
bond         39   74          367.00     1.0800
bond         39   75          367.00     1.0800
bond         39   77          367.00     1.0800
bond         39   78          367.00     1.0800
bond         40   40          385.00     1.4600
bond         40   46          457.00     1.2900
bond         40   74          549.00     1.3650
bond         40   99          385.00     1.4600
bond         41   95          337.00     1.4750
bond         42   54          525.00     1.4800
bond         43   44          434.00     1.0100
bond         44   45          434.00     1.0100
bond         45   49          481.00     1.3400
bond         45   72          481.00     1.3400
bond         46   46          500.00     1.3200
bond         46   49          502.00     1.3240
bond         46   50          461.00     1.3540
bond         46   72          461.00     1.3540
bond         46   76          483.00     1.3390
bond         46   93          550.00     1.2100
bond         46   99          457.00     1.2900
bond         47   50          436.00     1.3740
bond         47   51          400.00     1.3490
bond         47   52          440.00     1.3710
bond         47   71          428.00     1.3800
bond         47   72          477.00     1.3430
bond         47   74          427.00     1.3810
bond         47   75          427.00     1.3810
bond         47   76          385.00     1.4400
bond         48   73          367.00     1.0800
bond         48   74          367.00     1.0800
bond         49   53          367.00     1.0800
bond         50   50          520.00     1.3700
bond         50   51          414.00     1.3910
bond         50   70          388.00     1.4590
bond         50   71          447.00     1.4190
bond         50   77          469.00     1.4240
bond         50   95          436.00     1.3740
bond         51   51          400.00     1.2800
bond         51   52          529.00     1.3040
bond         51   72          488.00     1.3350
bond         51   73          410.00     1.3940
bond         51   74          410.00     1.3940
bond         51   78          410.00     1.3200
bond         52   53          367.00     1.0800
bond         52   95          440.00     1.3710
bond         53   72          367.00     1.0800
bond         54   98          108.00     2.2500
bond         55   72          300.00     1.8700
bond         55   73          300.00     1.8700
bond         55   74          300.00     1.8700
bond         55   77          300.00     1.8700
bond         55   78          300.00     1.8700
bond         55   98          151.00     2.1900
bond         56   72          250.00     2.0800
bond         56   73          250.00     2.0800
bond         56   74          250.00     2.0800
bond         56   77          250.00     2.0800
bond         56   78          250.00     2.0800
bond         56   98          108.00     2.4400
bond         67   68          500.00     1.8000
bond         70   74          546.00     1.3520
bond         72   76          385.00     1.4600
bond         72   77          520.00     1.3700
bond         73   74          520.00     1.3700
bond         73   76          385.00     1.4600
bond         74   74          512.00     1.3750
bond         74   76          385.00     1.4600
bond         74   77          546.00     1.3670
bond         74   78          520.00     1.3700
bond         75   75          520.00     1.3700
bond         76   76          385.00     1.4600
bond         76   77          385.00     1.4600
bond         76   78          385.00     1.4600
bond         77   77          469.00     1.4240
bond         77   78          469.00     1.4240
bond         79   80          490.00     1.3350
bond         79   81          317.00     1.5220
bond         80   81          337.00     1.4490
bond         81   81          260.00     1.5200
bond         92   93          550.00     1.2250
bond         98   98           94.00     2.3200
bond         99   99          549.00     1.3450


      ################################
      ##                            ##
      ##  Angle Bending Parameters  ##
      ##                            ##
      ################################


angle        23    1   23      33.00     109.47
angle         1    2    2      50.00     109.50
angle         2    2    2      63.00     112.40
angle         2    2    3      63.00     112.40
angle         2    2    5      80.00     109.50
angle         2    2    6      63.00     112.40
angle         2    2   10      63.00     112.40
angle         2    2   16      50.00     114.70
angle         2    2   29      80.00     109.50
angle         2    2   33      56.20     109.47
angle         2    2   35      80.00     111.20
angle         2    2   38      63.00     112.40
angle         2    2   41      63.00     112.40
angle         2    2   43      80.00     111.20
angle         2    2   45      80.00     111.20
angle         3    2   10      63.00     112.40
angle         3    2   33      80.00     111.20
angle         3    2   35      80.00     110.30
angle         5    2    6      80.00     109.50
angle         5    2   10      80.00     109.50
angle         6    2    6      63.00     112.40
angle         6    2   10      63.00     112.40
angle         6    2   13      63.00     112.40
angle         6    2   29      80.00     109.50
angle         6    2   33      56.20     109.47
angle         6    2   41      63.00     112.40
angle        10    2   10      63.00     112.40
angle        10    2   12      63.00     114.00
angle        10    2   15      50.00     108.60
angle        10    2   16      50.00     114.70
angle        10    2   29      80.00     109.50
angle        10    2   33      56.20     109.47
angle        10    2   38      63.00     114.00
angle        10    2   70      63.00     115.60
angle        13    2   33      56.20     109.47
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angle         1    3   13      80.00     111.00
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angle         2    3   42      70.00     117.00
angle         3    3    4      80.00     121.40
angle         3    3   13      80.00     117.20
angle         3    3   35      70.00     116.60
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angle         4    3    5      80.00     121.00
angle         4    3    6      80.00     120.40
angle         4    3   10      80.00     120.40
angle         4    3   13      80.00     120.40
angle         4    3   29      83.00     123.40
angle         4    3   30      75.00     119.00
angle         4    3   33      80.00     120.40
angle         4    3   35      80.00     122.90
angle         4    3   36      35.00     123.00
angle         4    3   37      80.00     125.30
angle         4    3   38      80.00     120.40
angle         4    3   40      80.00     124.00
angle         4    3   42      80.00     126.00
angle         4    3   46      80.00     122.50
angle         4    3   47      80.00     120.60
angle         4    3   50      80.00     128.80
angle         4    3   55      75.00     119.00
angle         4    3   74      80.00     120.40
angle         4    3   77      80.00     128.20
angle         4    3   95      80.00     120.90
angle         4    3   97      80.00     122.90
angle         5    3   10      70.00     115.00
angle         5    3   12      70.00     120.00
angle         5    3   13      70.00     108.00
angle         5    3   36      40.00     115.00
angle         5    3   38      70.00     120.00
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angle         6    3   42      70.00     117.00
angle        10    3   29      81.00     111.40
angle        10    3   35      70.00     116.60
angle        10    3   42      65.00     117.00
angle        12    3   12      85.00     120.00
angle        13    3   13      70.00     116.00
angle        13    3   29      81.00     111.40
angle        13    3   30      75.00     109.00
angle        13    3   33      70.00     116.00
angle        13    3   35      70.00     116.60
angle        13    3   36      35.00     115.00
angle        13    3   38      70.00     116.00
angle        13    3   40      70.00     116.00
angle        13    3   42      70.00     117.00
angle        13    3   55      75.00     109.00
angle        13    3   97      70.00     116.60
angle        29    3   35      81.00     111.40
angle        29    3   36      40.00     115.00
angle        29    3   38      81.00     111.40
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angle        35    3   35      70.00     114.20
angle        35    3   36      40.00     114.00
angle        35    3   37      70.00     115.50
angle        35    3   38      70.00     115.50
angle        35    3   50      70.00     111.30
angle        36    3   36      35.00     115.00
angle        36    3   38      35.00     115.00
angle        36    3   40      80.00     116.00
angle        36    3   46      35.00     116.00
angle        36    3   46      35.00     122.00
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angle        38    3   38      85.00     120.00
angle        38    3   42      70.00     117.00
angle        42    3   42      80.00     126.00
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angle        46    3   95      70.00     118.60
angle        47    3   47      70.00     118.60
angle        47    3   50      70.00     111.30
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angle         3    5    7      35.00     113.00
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angle         7    5   10      55.00     108.50
angle         7    5   13      55.00     108.50
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angle         7    5   35      49.00     105.40
angle         7    5   37      35.00     109.00
angle         7    5   38      35.00     113.00
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angle         7    5   54      55.00     108.50
angle         7    5   69      74.00     110.00
angle         7    5   96     100.00     126.00
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angle        13    5   54     100.00     120.50
angle        23    5   23       5.00     109.47
angle        23    5   38      10.00     109.47
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angle        23    7   23      33.00     109.47
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angle         2   10    5      80.00     109.50
angle         2   10    6      63.00     112.40
angle         2   10   10      63.00     111.50
angle         2   10   29      80.00     109.50
angle         2   10   33      56.20     109.47
angle         2   10   35      80.00     109.70
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angle         3   10   35      63.00     110.10
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angle         5   10   10      80.00     109.50
angle         6   10    6      63.00     111.50
angle         6   10   10      63.00     111.50
angle         6   10   29      80.00     109.50
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angle         6   10   35      80.00     109.50
angle        10   10   10      63.00     111.50
angle        10   10   29      80.00     109.50
angle        10   10   33      56.20     109.47
angle        10   10   35      80.00     109.70
angle        10   10   95      80.00     109.50
angle        13   10   33      56.20     109.47
angle        29   10   38      80.00     109.50
angle        29   10   95      80.00     109.50
angle         2   11    2      70.00     124.00
angle         2   11    6      70.00     124.00
angle         2   11    9      70.00     118.00
angle         2   11   10      70.00     124.00
angle         2   11   11      70.00     118.00
angle         2   11   13      70.00     124.00
angle         6   11    6      70.00     124.00
angle         6   11    9      70.00     118.00
angle         6   11   10      70.00     124.00
angle         6   11   11      70.00     118.00
angle         6   11   13      70.00     124.00
angle         9   11   10      70.00     118.00
angle         9   11   11      70.00     118.00
angle         9   11   13      70.00     118.00
angle         9   11   14      70.00     118.00
angle         9   11   69      70.00     118.00
angle        10   11   10      70.00     124.00
angle        10   11   11      70.00     118.00
angle        10   11   13      70.00     124.00
angle        11   11   11      70.00     118.00
angle        11   11   13      70.00     118.00
angle        11   11   14      70.00     118.00
angle        13   11   13      70.00     124.00
angle         2   12   12      70.00     120.00
angle         3   12   12      85.00     120.00
angle        12   12   12      85.00     120.00
angle        12   12   38      85.00     120.00
angle        12   12   50      85.00     120.00
angle        12   12   71      85.00     120.00
angle         1   13    1      77.00     109.10
angle         1   13    3      50.00     109.50
angle         1   13   13      50.00     109.50
angle         1   13   36      40.00     107.00
angle         1   13   37      50.00     109.50
angle         1   13   38      50.00     109.50
angle         1   13   69      50.00     109.50
angle         2   13    2      40.00     109.50
angle         2   13    3      63.00     111.10
angle         2   13    6      40.00     109.50
angle         2   13   33      56.20     109.47
angle         2   13   35      80.00     109.70
angle         2   13   36      35.00     109.50
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angle         3   13    3      63.00     111.10
angle         3   13    6      63.00     109.50
angle         3   13   13      63.00     111.10
angle         3   13   29      50.00     109.50
angle         3   13   30      69.00     109.80
angle         3   13   33      80.00     111.20
angle         3   13   35      63.00     110.10
angle         3   13   36      35.00     109.50
angle         3   13   38      63.00     112.00
angle         3   13   43      80.00     111.20
angle         3   13   46      63.00     110.10
angle         3   13   55      69.00     109.80
angle         3   13   80      80.00     113.00
angle         5   13   13      50.00     109.50
angle         5   13   36      35.00     109.50
angle         5   13   38      50.00     109.50
angle         5   13   41      50.00     109.50
angle         6   13    6      40.00     109.50
angle         6   13   33      56.20     109.47
angle        10   13   33      56.20     109.47
angle        13   13   13      58.35     112.70
angle        13   13   15      50.00     108.60
angle        13   13   16      50.00     114.70
angle        13   13   19      58.35     112.70
angle        13   13   29      50.00     109.50
angle        13   13   30      69.00     109.80
angle        13   13   31      50.00     108.60
angle        13   13   33      56.20     109.47
angle        13   13   35      80.00     109.70
angle        13   13   36      37.50     110.70
angle        13   13   37      63.00     111.10
angle        13   13   38      63.00     114.00
angle        13   13   41      58.35     112.70
angle        13   13   43      80.00     111.20
angle        13   13   45      80.00     111.20
angle        13   13   46      65.00     109.00
angle        13   13   50      63.00     114.00
angle        13   13   54      43.00     109.50
angle        13   13   55      69.00     110.00
angle        13   13   56      75.00     112.00
angle        13   13   69      50.00     108.60
angle        13   13   70      63.00     115.60
angle        13   13   73      63.00     114.00
angle        13   13   74      63.00     114.00
angle        13   13   75      63.00     114.00
angle        13   13   77      63.00     115.60
angle        13   13   80      80.00     110.00
angle        13   13   85      63.00     105.00
angle        13   13   91      80.00     111.20
angle        13   13   92      63.00     111.10
angle        13   13   94      43.00     109.50
angle        13   13   95      50.00     109.50
angle        13   13   97      80.00     109.70
angle        13   13   98      60.00     112.00
angle        15   13   36      35.00     109.50
angle        16   13   33      50.00     114.70
angle        16   13   36      35.00     109.50
angle        16   13   38      50.00     114.70
angle        16   13   74      50.00     114.70
angle        18   13   36      35.00     108.50
angle        19   13   36      35.00     108.50
angle        29   13   35      50.00     109.50
angle        29   13   36      35.00     109.50
angle        29   13   38      50.00     109.50
angle        29   13   95      50.00     109.50
angle        30   13   30      78.00     111.70
angle        30   13   36      51.00     107.60
angle        31   13   36      35.00     109.50
angle        33   13   36      35.00     109.50
angle        33   13   38      80.00     111.20
angle        35   13   36      35.00     109.50
angle        36   13   36      33.00     107.80
angle        36   13   37      35.00     109.50
angle        36   13   38      35.00     109.50
angle        36   13   40      35.00     109.50
angle        36   13   41      37.50     110.70
angle        36   13   43      35.00     109.50
angle        36   13   45      35.00     109.50
angle        36   13   46      35.00     109.50
angle        36   13   47      35.00     109.50
angle        36   13   50      35.00     109.50
angle        36   13   54      41.00     109.50
angle        36   13   55      51.00     107.60
angle        36   13   56      75.00     111.00
angle        36   13   69      35.00     109.50
angle        36   13   70      35.00     109.50
angle        36   13   73      35.00     109.50
angle        36   13   74      35.00     109.50
angle        36   13   75      35.00     109.50
angle        36   13   77      35.00     109.50
angle        36   13   80      35.00     109.50
angle        36   13   81      37.50     110.70
angle        36   13   85      35.00     105.00
angle        36   13   91      35.00     109.50
angle        36   13   92      35.00     105.00
angle        36   13   94      41.00     109.50
angle        36   13   95      35.00     109.50
angle        36   13   97      35.00     109.50
angle        36   13   98      35.00     109.50
angle        37   13   37      63.00     112.40
angle        37   13   38      40.00     109.50
angle        38   13   38      40.00     109.50
angle        38   13   47      80.00     111.20
angle        38   13   54      43.00     109.50
angle        38   13   55      69.00     110.00
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angle         2   14    2      70.00     124.00
angle         2   14    6      70.00     124.00
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angle         2   14   10      70.00     124.00
angle         2   14   11      70.00     118.00
angle         2   14   13      70.00     124.00
angle         2   14   14      70.00     118.00
angle         6   14    6      70.00     124.00
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angle         6   14   11      70.00     118.00
angle         6   14   13      70.00     124.00
angle         6   14   14      70.00     118.00
angle         9   14   10      70.00     118.00
angle         9   14   11      70.00     118.00
angle         9   14   13      70.00     118.00
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angle        10   14   10      70.00     124.00
angle        10   14   11      70.00     118.00
angle        10   14   13      70.00     124.00
angle        10   14   14      70.00     118.00
angle        11   14   11      70.00     118.00
angle        11   14   13      70.00     118.00
angle        11   14   14      70.00     118.00
angle        13   14   13      70.00     124.00
angle        13   14   14      70.00     118.00
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angle         2   15   17      44.00      96.00
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angle        13   15   17      44.00      96.00
angle        13   15   22     150.00      96.70
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angle        17   15   17      35.00      92.07
angle        17   15   22     150.00      96.70
angle        17   15   38      50.00      96.00
angle        22   15   22      10.00     160.00
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angle         2   16    6      62.00      98.90
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angle        13   16   13      62.00      98.90
angle        13   16   16      68.00     103.70
angle        13   16   19      65.00     100.00
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angle        13   16   23      10.00     109.47
angle        13   16   38      62.00     104.20
angle        13   16   81      62.00      94.00
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angle        22   16   22      10.00     160.00
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angle        23   16   51      10.00     130.00
angle        23   16   72      10.00     130.00
angle        23   16   74      10.00     130.00
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angle        23   17   23      33.00     109.47
angle        13   18   19     150.00     180.00
angle        18   18   46     100.00     180.00
angle        19   18   38     170.00     180.00
angle        13   19   18     150.00     180.00
angle        13   19   19     150.00     180.00
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angle        18   19   23      10.00      90.00
angle        18   19   37     150.00     180.00
angle        18   19   38     150.00     180.00
angle        18   19   45     150.00     180.00
angle        18   19   78     150.00     180.00
angle        19   19   36     112.00     180.00
angle        19   19   37     160.00     180.00
angle        19   19   38     160.00     180.00
angle        19   19   40     160.00     180.00
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angle        21   20   22      50.00      54.75
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angle         2   29    3      83.00     116.90
angle         2   29    6     100.00     111.80
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angle         3   29   13      83.00     116.90
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angle        13   29   38      75.00     111.00
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angle        13   29   98      40.00     130.00
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angle        23   29   72      10.00     125.00
angle        23   29   74      10.00     125.00
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angle        72   29   74      70.00     104.00
angle        74   29   74      70.00     106.50
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angle         2   33    6      51.80     107.20
angle         2   33   10      51.80     107.20
angle         2   33   13      51.80     107.20
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angle        10   33   13      51.80     107.20
angle        10   33   34      43.20     108.10
angle        13   33   13      51.80     107.20
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angle        13   33   38      50.00     116.00
angle        13   33   69      50.00     108.60
angle        23   33   34      10.00     100.00
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angle         2   35    6      50.00     121.90
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angle         3   35    5      46.00     115.70
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angle         3   35   10      50.00     121.90
angle         3   35   13      50.00     121.90
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angle         3   35   23      10.00     109.50
angle         3   35   29      70.00     108.60
angle         3   35   34      35.00     119.80
angle         3   35   38      50.00     121.90
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angle         3   35   96      20.00     126.00
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angle        13   35   13      50.00     118.00
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angle        23   93   23      10.00     109.50
angle        23   93   92      10.00     109.50
angle        13   94   13      45.00     109.50
angle         3   95   10      70.00     117.60
angle         3   95   13      70.00     117.60
angle         3   95   34      35.00     119.20
angle         3   95   37      70.00     121.60
angle         3   95   41      70.00     117.60
angle         6   95   50      70.00     125.80
angle         6   95   52      70.00     128.80
angle        10   95   50      70.00     125.80
angle        10   95   52      70.00     128.80
angle        13   95   37      70.00     121.20
angle        13   95   50      70.00     125.80
angle        13   95   52      70.00     128.80
angle        34   95   37      35.00     119.20
angle        34   95   50      30.00     125.80
angle        34   95   52      30.00     128.80
angle        37   95   41      70.00     121.20
angle        41   95   50      70.00     125.80
angle        41   95   52      70.00     128.80
angle        50   95   52      70.00     105.40
angle         4   96   35      20.00     109.50
angle        35   96   35      20.00     109.50
angle         3   97   13      50.00     121.90
angle        13   97   13      50.00     118.00
angle         1   98   13      35.00     110.50
angle        13   98   13      60.00     110.00
angle        13   98   29      60.00     100.00
angle        13   98   30      35.00     110.50
angle        13   98   34      35.00     110.50
angle        13   98   36      35.00     110.50
angle        13   98   55      35.00     110.50
angle        13   98   56      35.00     110.50
angle        13   98   98      50.00     112.00
angle        29   98   29      60.00     110.00
angle        34   98   34      35.00     109.50
angle        36   98   36      35.00     109.50
angle        13   99   40      70.00     124.00
angle        13   99   99      70.00     124.00
angle        36   99   38      35.00     123.30
angle        36   99   40      35.00     120.00
angle        36   99   99      35.00     120.00
angle        38   99   99      85.00     117.00
angle        40   99   99      70.00     124.00
angle         4  100   37     160.00     180.00
angle        37  100   37     160.00     180.00


      #####################################
      ##                                 ##
      ##  Improper Torsional Parameters  ##
      ##                                 ##
      #####################################


imptors       0    0    3    4           21.000  180.0  2
imptors       0    0    3   42           21.000  180.0  2
imptors       0    0   35    0            5.000  180.0  2
imptors       0    0   37    0           30.000  180.0  2
imptors       0    0   38    0            5.000  180.0  2


      ############################
      ##                        ##
      ##  Torsional Parameters  ##
      ##                        ##
      ############################


    ###################################################################
    ##                                                               ##
    ##  Alternative Torsional Parameter Values for Use with OPLS-AA  ##
    ##                                                               ##
    ##  For some torsions, OPLS-AA has multiple possible parameter   ##
    ##  values; the list below shows functional groups for which     ##
    ##  these alternate (commented) values should be preferred; the  ##
    ##  values are in the same order as in the full parameter list   ##
    ##                                                               ##
    ##    4    3    3   36      generic (default)                    ##
    ##    4    3    3   36      dicarbonyls                          ##
    ##   36    3    3   36      hydrocarbon (default)                ##
    ##   36    3    3   36      dicarbonyls                          ##
    ##   13    3    5    7      carboxylic acid (default)            ##
    ##   13    3    5    7      1,2-diacid monoanion                 ##
    ##    4    3   13   13      peptide (default)                    ##
    ##    4    3   13   13      propanamide                          ##
    ##    4    3   13   13      carboxylic acid                      ##
    ##    4    3   13   13      dicarboxylic acid                    ##
    ##    4    3   13   13      aldyhyde, ketone, acyl halide        ##
    ##    4    3   13   13      1,2-diacid monoanion                 ##
    ##    5    3   13   13      carboxylic acid (default)            ##
    ##    5    3   13   13      dicarboxylic acid                    ##
    ##   35    3   13   13      peptide psi' (default)               ##
    ##   35    3   13   13      propanamide                          ##
    ##   35    3   13   13      beta-3-peptide, last psi             ##
    ##    4    3   29   13      esters (default)                     ##
    ##    4    3   29   13      benzoic esters                       ##
    ##    7    5   13   13      alcohols (default)                   ##
    ##    7    5   13   13      trifluoroethanol                     ##
    ##    7    5   13   13      hexopyranoses                        ##
    ##    7    5   13   36      alcohols (default)                   ##
    ##    7    5   13   36      axial cyclohexanol                   ##
    ##    7    5   13   36      trifluoroethanol                     ##
    ##    0   13   13   13      alcohols, ethers (default)           ##
    ##    0   13   13   13      hexopyranoses                        ##
    ##    3   13   13    3      dicarboxylic acid (default)          ##
    ##    3   13   13    3      1,2-diacid monoanion                 ##
    ##    3   13   13   13      butanamide (default)                 ##
    ##    3   13   13   13      carboxylate ion                      ##
    ##    3   13   13   13      aldyhyde, ketone, acyl halide        ##
    ##    3   13   13   36      all carbonyls (default)              ##
    ##    3   13   13   36      dicarboxylic acid                    ##
    ##    3   13   13   36      aldehyde, ketone, acyl halide        ##
    ##    5   13   13    5      diols only (default)                 ##
    ##    5   13   13    5      triols only                          ##
    ##    5   13   13    5      hexopyranoses                        ##
    ##   13   13   13   13      hydrocarbon (default)                ##
    ##   13   13   13   13      perfluoroalkane                      ##
    ##   13   13   13   35      peptide chi-1 (default)              ##
    ##   13   13   13   35      N-propylformamide                    ##
    ##   36   13   13   69      generic (default)                    ##
    ##   36   13   13   69      sulfone                              ##
    ##   13   13   33   13      amine (default)                      ##
    ##   13   13   33   13      exocyclic amine                      ##
    ##   13   13   33   13      exocyclic 1,4-diamine                ##
    ##   13   13   33   34      amine (default)                      ##
    ##   13   13   33   34      azetidine, 4-ring                    ##
    ##   13   13   33   34      pyrrolidine, 5-ring                  ##
    ##   13   13   33   34      cyclic amine                         ##
    ##   13   13   33   34      cyclic 1,4-diamine                   ##
    ##   13   13   35    3      peptide phi' (default)               ##
    ##   13   13   35    3      N-ethylformamide                     ##
    ##   13   13   35    3      beta-3-peptide, first theta tors     ##
    ##   13   13   35   13      proline, CD-N-CA-CB (default)        ##
    ##   13   13   35   13      proline, CG-CD-N-CA                  ##
    ##   36   13   35    3      peptide phi'' (default)              ##
    ##   36   13   35    3      N-methylformamide                    ##
    ##   13   13   47    0      imidazole, indole, purine (default)  ##
    ##   13   13   47    0      nucleoside chi                       ##
    ##   13   13   47   52      nucleoside (default)                 ##
    ##   13   13   47   52      imidazole, indole, purine            ##
    ##   29   13   47    0      imidazole, indole, purine (default)  ##
    ##   29   13   47    0      nucleoside chi                       ##
    ##   29   13   95   52      nucleoside (default)                 ##
    ##   29   13   95   52      imidazole, indole, purine            ##
    ##   13   13   97   13      generic (default)                    ##
    ##   13   13   97   13      generic                              ##
    ##   17   15   38    0      aromatic thiol (default)             ##
    ##   17   15   38    0      aromatic thiol, N-C-S-H              ##
    ##   13   29   54   42      phosphonates (default)               ##
    ##   13   29   54   42      dimethyl phosphate                   ##
    ##   34   35   72   16      diaryl amine (default)               ##
    ##   34   35   72   16      aniline-like                         ##
    ##   34   35   72   29      diaryl amine (default)               ##
    ##   34   35   72   29      aniline-like                         ##
    ##   13   40   40   37      diene (default)                      ##
    ##   13   40   40   37      2-methyl-1,3-butadiene               ##
    ##    0   46   72    0      generic (default)                    ##
    ##    0   46   72    0      generic                              ##
    ##    0   47   72    0      generic (default)                    ##
    ##    0   47   72    0      generic                              ##
    ##    0   47   74    0      generic (default)                    ##
    ##    0   47   74    0      generic                              ##
    ##    0   47   74    0      generic                              ##
    ##    0   51   72    0      generic (default)                    ##
    ##    0   51   72    0      HA-CR-NB-?? or N?-CR-NB-??           ##
    ##    0   72   77    0      generic (default)                    ##
    ##    0   72   77    0      biphenyl-like, N-C-C-C               ##
    ##                                                               ##
    ###################################################################


torsion       0    2    2    2     -2.500 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       0    2    2    6     -2.500 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       1    2    2    2     -2.000 0.0 1   0.700 180.0 2   3.000 0.0 3
torsion       1    2    2    6     -2.000 0.0 1   0.700 180.0 2   3.000 0.0 3
torsion       2    2    2    2     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2    2    6     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2    2   10     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2    2   13     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2    2   55     -2.000 0.0 1   0.500 180.0 2   3.250 0.0 3
torsion       6    2    2    6     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       6    2    2   55     -2.000 0.0 1   0.500 180.0 2   3.250 0.0 3
torsion      10    2    2   10     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2    5    7      0.300 0.0 1   0.000 180.0 2   1.300 0.0 3
torsion       6    2    5    7      0.300 0.0 1   0.000 180.0 2   1.300 0.0 3
torsion      10    2    5    7      0.300 0.0 1   0.000 180.0 2   1.300 0.0 3
torsion       0    2   10    2     -2.500 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2   10    2     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       2    2   13    2     -3.400 0.0 1   1.250 180.0 2   3.100 0.0 3
torsion       6    2   29    2     -7.400 0.0 1   3.000 180.0 2   1.800 0.0 3
torsion       6    2   29    6     -8.400 0.0 1   3.000 180.0 2   1.800 0.0 3
torsion       4    3    3    4      1.600 0.0 1   3.200 180.0 2   0.000 0.0 3
torsion       4    3    3   13      0.000 0.0 1   0.500 180.0 2   0.000 0.0 3
torsion       4    3    3   35      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3    3   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
#torsion      4    3    3   36      0.000 0.0 1   0.200 180.0 2   0.000 0.0 3
torsion      13    3    3   13      0.700 0.0 1  -1.500 180.0 2   0.000 0.0 3
torsion      13    3    3   35     -0.500 0.0 1   0.200 180.0 2   0.000 0.0 3
torsion      13    3    3   36      0.800 0.0 1  -0.760 180.0 2   0.000 0.0 3
torsion      35    3    3   36     -0.900 0.0 1   0.300 180.0 2   0.000 0.0 3
torsion      36    3    3   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
#torsion     36    3    3   36      0.800 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       3    3    5    7      3.000 0.0 1   5.500 180.0 2   0.000 0.0 3
torsion       4    3    5    7      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion      13    3    5    7      1.500 0.0 1   5.500 180.0 2   0.000 0.0 3
#torsion     13    3    5    7      3.200 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      35    3    5    7     -2.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion      36    3    5    7      1.500 0.0 1   5.500 180.0 2   0.000 0.0 3
torsion      38    3    5    7      4.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion       1    3   13   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       1    3   13   36      0.000 0.0 1   0.000 180.0 2   0.360 0.0 3
torsion       3    3   13   36      0.000 0.0 1   0.000 180.0 2   0.085 0.0 3
torsion       4    3   13    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   13   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
#torsion      4    3   13   13      0.000 0.0 1   1.166 180.0 2   0.000 0.0 3
#torsion      4    3   13   13      0.000 0.0 1   0.546 180.0 2   0.000 0.0 3
#torsion      4    3   13   13     -0.750 0.0 1  -0.550 180.0 2  -0.250 0.0 3
#torsion      4    3   13   13     -0.277 0.0 1   1.228 180.0 2  -0.694 0.0 3
#torsion      4    3   13   13     -1.000 0.0 1  -1.900 180.0 2  -0.900 0.0 3
torsion       4    3   13   30     -0.650 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   13   33      0.000 0.0 1   0.820 180.0 2   0.000 0.0 3
torsion       4    3   13   35      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   13   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   13   38      0.000 0.0 1   0.546 180.0 2   0.000 0.0 3
torsion       5    3   13   13      0.000 0.0 1   1.412 180.0 2   0.000 0.0 3
#torsion      5    3   13   13      1.000 0.0 1   0.546 180.0 2   0.450 0.0 3
torsion       5    3   13   33      5.260 0.0 1   0.820 180.0 2   0.000 0.0 3
torsion       5    3   13   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13    3   13   13      1.454 0.0 1  -0.144 180.0 2  -0.775 0.0 3
torsion      13    3   13   36      0.000 0.0 1   0.000 180.0 2   0.275 0.0 3
torsion      29    3   13   13      0.000 0.0 1   0.000 180.0 2  -0.553 0.0 3
torsion      29    3   13   36      0.000 0.0 1   0.000 180.0 2   0.132 0.0 3
torsion      30    3   13   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      30    3   13   36      0.000 0.0 1   0.000 180.0 2   0.360 0.0 3
torsion      35    3   13   13      1.173 0.0 1   0.189 180.0 2  -1.200 0.0 3
#torsion     35    3   13   13      3.250 0.0 1  -0.402 180.0 2  -0.136 0.0 3
#torsion     35    3   13   13      3.260 0.0 1   0.440 180.0 2   0.600 0.0 3
torsion      35    3   13   30      0.650 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      35    3   13   35      1.816 0.0 1   1.222 180.0 2   1.581 0.0 3
torsion      35    3   13   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36    3   13   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36    3   13   36      0.000 0.0 1   0.000 180.0 2   0.360 0.0 3
torsion      38    3   13   36      0.000 0.0 1   0.000 180.0 2   0.275 0.0 3
torsion      42    3   13   13      0.000 0.0 1   0.820 180.0 2   0.000 0.0 3
torsion      42    3   13   33      0.000 0.0 1   0.820 180.0 2   0.000 0.0 3
torsion      42    3   13   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      55    3   13   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      55    3   13   36      0.000 0.0 1   0.000 180.0 2   0.360 0.0 3
torsion      97    3   13   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   29   13      0.000 0.0 1   5.124 180.0 2   0.000 0.0 3
#torsion      4    3   29   13      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion       4    3   29   38      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion      13    3   29   13      4.669 0.0 1   5.124 180.0 2   0.000 0.0 3
torsion      13    3   29   38      1.500 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion      35    3   29   13     -2.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion      36    3   29   13      4.669 0.0 1   5.124 180.0 2   0.000 0.0 3
torsion      38    3   29   13      4.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion       3    3   35   13      0.400 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion       3    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion       4    3   35    5      0.000 0.0 1   6.603 180.0 2   0.000 0.0 3
torsion       4    3   35   13      0.000 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       4    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion       4    3   35   37      0.000 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       4    3   35   38      0.000 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       4    3   35   81      0.000 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       5    3   35   13      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       5    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      13    3   35    5      4.542 0.0 1   6.603 180.0 2   1.045 0.0 3
torsion      13    3   35   13      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      13    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      13    3   35   38      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      29    3   35   13      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      29    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      35    3   35    3      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      35    3   35   13      4.600 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      35    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      36    3   35   13      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      36    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      37    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      38    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      38    3   35   38      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      38    3   35   74      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      38    3   35   77      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      74    3   35   38      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      74    3   35   74      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      74    3   35   77      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      77    3   35   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      77    3   35   38      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      77    3   35   74      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      77    3   35   77      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       0    3   37   13      0.900 0.0 1   0.230 180.0 2  -0.505 0.0 3
torsion       4    3   37   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   37   37      2.500 0.0 1   6.000 180.0 2   0.000 0.0 3
torsion       5    3   37   37      3.200 0.0 1  -3.000 180.0 2   0.000 0.0 3
torsion      35    3   37   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      35    3   37   37      2.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      97    3   37   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      97    3   37   37      2.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       5    3   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      13    3   38   38      0.000 0.0 1   0.200 180.0 2   0.000 0.0 3
torsion      29    3   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      35    3   38   38      0.000 0.0 1   1.100 180.0 2   0.000 0.0 3
torsion      36    3   38   38      0.000 0.0 1   0.200 180.0 2   0.000 0.0 3
torsion       0    3   40   13      0.900 0.0 1   0.230 180.0 2  -0.505 0.0 3
torsion       4    3   40   37      2.500 0.0 1   6.000 180.0 2   0.000 0.0 3
torsion       5    3   40   37      3.200 0.0 1  -3.000 180.0 2   0.000 0.0 3
torsion      13    3   40   37      0.800 0.0 1  -3.000 180.0 2   0.000 0.0 3
torsion      13    3   46    0      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13    3   46   13      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36    3   46    0      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36    3   46   34      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       0    3   50    0      0.000 0.0 1   7.000 180.0 2   0.000 0.0 3
torsion       4    3   50    0      0.000 0.0 1   7.000 180.0 2   0.000 0.0 3
torsion       4    3   72    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4    3   72   47      2.000 0.0 1   1.000 180.0 2   0.000 0.0 3
torsion       4    3   72   51      0.000 0.0 1   1.000 180.0 2   0.000 0.0 3
torsion      72    3   72   47     -2.000 0.0 1   1.000 180.0 2   0.000 0.0 3
torsion      72    3   72   51      0.000 0.0 1   1.000 180.0 2   0.000 0.0 3
torsion       4    3   74   29     -0.750 0.0 1   1.500 180.0 2   0.000 0.0 3
torsion       4    3   74   77      0.750 0.0 1   1.500 180.0 2   0.000 0.0 3
torsion      74    3   74   29      0.000 0.0 1   1.500 180.0 2   0.000 0.0 3
torsion      74    3   74   77      0.000 0.0 1   1.500 180.0 2   0.000 0.0 3
torsion      38    3   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0    3   77    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       4    3   77   74      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       4    3   77   77      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      35    3   77   74      0.000 0.0 1   1.100 180.0 2   0.000 0.0 3
torsion      35    3   77   77      0.000 0.0 1   1.100 180.0 2   0.000 0.0 3
torsion       4    3   97   13      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      13    3   97   13      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion       4    3   99   99      2.500 0.0 1   6.000 180.0 2   0.000 0.0 3
torsion       5    3   99   99      3.200 0.0 1  -3.000 180.0 2   0.000 0.0 3
torsion       0    4   96    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   10    2      0.300 0.0 1   0.000 180.0 2   0.500 0.0 3
torsion       7    5   10    6      0.300 0.0 1   0.000 180.0 2   0.500 0.0 3
torsion       7    5   13    2      0.000 0.0 1   0.000 180.0 2   0.200 0.0 3
torsion       7    5   13    6      0.000 0.0 1   0.000 180.0 2   0.200 0.0 3
torsion       7    5   13   13     -0.356 0.0 1  -0.174 180.0 2   0.492 0.0 3
#torsion      7    5   13   13      4.478 0.0 1  -2.175 180.0 2   0.000 0.0 3
#torsion      7    5   13   13      2.674 0.0 1  -2.883 180.0 2   1.026 0.0 3
torsion       7    5   13   36      0.000 0.0 1   0.000 180.0 2   0.352 0.0 3
#torsion      7    5   13   36     -2.589 0.0 1  -1.123 180.0 2   0.270 0.0 3
#torsion      7    5   13   36      0.000 0.0 1   0.000 180.0 2   0.476 0.0 3
torsion       7    5   13   37     -0.900 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   13   38     -0.900 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   13   40     -0.900 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   33   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion       7    5   33   34      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion       7    5   35    3      5.519 0.0 1  -6.700 180.0 2   0.581 0.0 3
torsion       7    5   35   34      2.722 0.0 1  -5.154 180.0 2   0.000 0.0 3
torsion       7    5   37   37      0.000 0.0 1   1.682 180.0 2   0.000 0.0 3
torsion       7    5   38   38      0.000 0.0 1   1.682 180.0 2   0.000 0.0 3
torsion       7    5   41   29     -1.257 0.0 1  -1.806 180.0 2   0.003 0.0 3
torsion       7    5   46    3      3.000 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion       7    5   54    4      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   54    5      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   69   13     -0.750 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   69   32      0.750 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       7    5   69   38      2.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   13    3     -4.344 0.0 1  -1.714 180.0 2   0.000 0.0 3
torsion       0   13   13   13      1.711 0.0 1  -0.500 180.0 2   0.663 0.0 3
#torsion      0   13   13   13     -1.336 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   13   35      1.428 0.0 1   0.086 180.0 2   0.029 0.0 3
torsion       1   13   13    1     -2.500 0.0 1   0.000 180.0 2   0.250 0.0 3
torsion       1   13   13    5      0.000 0.0 1   0.000 180.0 2   0.540 0.0 3
torsion       1   13   13   13      0.300 0.0 1  -0.400 180.0 2   0.400 0.0 3
torsion       1   13   13   36      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion       3   13   13    3     -0.550 0.0 1   0.000 180.0 2   1.000 0.0 3
#torsion      3   13   13    3      0.800 0.0 1   0.000 180.0 2   0.900 0.0 3
torsion       3   13   13    5     -6.180 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       3   13   13   13     -2.060 0.0 1  -0.313 180.0 2   0.315 0.0 3
#torsion      3   13   13   13     -3.185 0.0 1  -0.825 180.0 2   0.493 0.0 3
#torsion      3   13   13   13     -1.697 0.0 1  -0.456 180.0 2   0.585 0.0 3
torsion       3   13   13   15     -4.344 0.0 1  -1.714 180.0 2   0.000 0.0 3
torsion       3   13   13   16     -4.344 0.0 1  -1.714 180.0 2   0.000 0.0 3
torsion       3   13   13   35     -9.000 0.0 1   2.000 180.0 2   0.800 0.0 3
torsion       3   13   13   36      0.000 0.0 1   0.000 180.0 2  -0.100 0.0 3
#torsion      3   13   13   36      0.000 0.0 1   0.000 180.0 2   0.074 0.0 3
#torsion      3   13   13   36      0.000 0.0 1   0.000 180.0 2  -0.076 0.0 3
torsion       3   13   13   38     -1.697 0.0 1  -0.456 180.0 2   0.585 0.0 3
torsion       3   13   13   70     -1.697 0.0 1  -0.456 180.0 2   0.585 0.0 3
torsion       5   13   13    5      9.508 0.0 1   0.000 180.0 2   0.000 0.0 3
#torsion      5   13   13    5     12.234 0.0 1   0.000 180.0 2   0.000 0.0 3
#torsion      5   13   13    5      9.066 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       5   13   13   13     -1.552 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       5   13   13   29      4.319 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       5   13   13   33      8.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       5   13   13   35      6.280 0.0 1  -1.467 180.0 2   2.030 0.0 3
torsion       5   13   13   36      0.000 0.0 1   0.000 180.0 2   0.468 0.0 3
torsion      13   13   13   13      1.300 0.0 1  -0.050 180.0 2   0.200 0.0 3
#torsion   13   13   13   13  6.622 0. 1 0.948 180. 2 -1.388 0. 3 -2.118 180. 4
torsion      13   13   13   15      1.262 0.0 1  -0.198 180.0 2   0.465 0.0 3
torsion      13   13   13   16      2.619 0.0 1  -0.620 180.0 2   0.258 0.0 3
torsion      13   13   13   19      0.000 0.0 1  -0.650 180.0 2   0.000 0.0 3
torsion      13   13   13   30      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      13   13   13   33      2.392 0.0 1  -0.674 180.0 2   0.550 0.0 3
torsion      13   13   13   35      0.845 0.0 1  -0.962 180.0 2   0.713 0.0 3
#torsion     13   13   13   35      1.964 0.0 1   0.000 180.0 2   0.659 0.0 3
torsion      13   13   13   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
#the parameter was added because it did not exist.   
torsion      13   13   13   37      1.711 0.0 1  -0.500 180.0 2   0.663 0.0 3
torsion      13   13   13   41      1.300 0.0 1  -0.050 180.0 2   0.200 0.0 3
torsion      13   13   13   43      2.732 0.0 1  -0.229 180.0 2   0.485 0.0 3
torsion      13   13   13   55      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      13   13   13   56      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      13   13   13   69      1.262 0.0 1  -0.198 180.0 2   0.465 0.0 3
torsion      13   13   13   97      1.964 0.0 1   0.000 180.0 2   0.659 0.0 3
torsion      13   13   13   98      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      15   13   13   36      0.000 0.0 1   0.000 180.0 2   0.452 0.0 3
torsion      16   13   13   36      0.000 0.0 1   0.000 180.0 2   0.452 0.0 3
torsion      19   13   13   36      0.000 0.0 1   0.000 180.0 2   0.366 0.0 3
torsion      29   13   13   29     -0.550 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      29   13   13   36      0.000 0.0 1   0.000 180.0 2   0.468 0.0 3
torsion      30   13   13   30     -0.250 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      30   13   13   33      2.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      30   13   13   36      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      33   13   13   33     11.035 0.0 1  -0.968 180.0 2   0.270 0.0 3
torsion      33   13   13   36     -1.013 0.0 1  -0.709 180.0 2   0.473 0.0 3
torsion      33   13   13   38     -0.800 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      35   13   13   36      0.000 0.0 1   0.000 180.0 2   0.464 0.0 3
torsion      35   13   13   38      0.845 0.0 1  -0.962 180.0 2   0.713 0.0 3
torsion      35   13   13   70      0.845 0.0 1  -0.962 180.0 2   0.713 0.0 3
torsion      36   13   13   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   13   13   37      0.000 0.0 1   0.000 180.0 2   0.366 0.0 3
torsion      36   13   13   38      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   41      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   13   13   43      0.000 0.0 1   0.000 180.0 2   0.384 0.0 3
torsion      36   13   13   45      0.000 0.0 1   0.000 180.0 2  -0.582 0.0 3
torsion      36   13   13   49      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   52      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   55      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      36   13   13   56      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      36   13   13   69      0.000 0.0 1   0.000 180.0 2   0.452 0.0 3
#torsion     36   13   13   69      0.000 0.0 1   0.000 180.0 2   0.350 0.0 3
torsion      36   13   13   70      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   72      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   73      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   74      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   77      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   78      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   13   92      0.000 0.0 1   0.000 180.0 2  -0.225 0.0 3
torsion      36   13   13   94      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   13   13   97      0.000 0.0 1   0.000 180.0 2   0.464 0.0 3
torsion      36   13   13   98      0.000 0.0 1   0.000 180.0 2   0.450 0.0 3
torsion      36   13   13   99      0.000 0.0 1   0.000 180.0 2   0.366 0.0 3
torsion      38   13   13   43      1.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      98   13   13   98      5.200 0.0 1  -0.500 180.0 2   0.000 0.0 3
torsion      13   13   15   17     -0.759 0.0 1  -0.282 180.0 2   0.680 0.0 3
torsion      36   13   15   17      0.000 0.0 1   0.000 180.0 2   0.480 0.0 3
torsion      13   13   16   13      0.925 0.0 1  -0.576 180.0 2   0.677 0.0 3
torsion      13   13   16   16      1.941 0.0 1  -0.836 180.0 2   0.935 0.0 3
torsion      36   13   16   13      0.000 0.0 1   0.000 180.0 2   0.647 0.0 3
torsion      36   13   16   16      0.000 0.0 1   0.000 180.0 2   0.558 0.0 3
torsion      36   13   16   38      0.000 0.0 1   0.000 180.0 2   0.647 0.0 3
torsion       0   13   18   19      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   18   19      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   19   18      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   19   19      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   19   19      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   19   19      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   29   13     -0.521 0.0 1  -2.018 180.0 2   1.996 0.0 3
torsion      46   13   29   13     -0.500 0.0 1  -1.500 180.0 2   1.000 0.0 3
torsion      47   13   29   13     -0.500 0.0 1  -1.500 180.0 2   1.000 0.0 3
torsion      13   13   29    3     -1.220 0.0 1  -0.126 180.0 2   0.422 0.0 3
torsion      13   13   29   13      0.650 0.0 1  -0.250 180.0 2   0.670 0.0 3
torsion      13   13   29   54     -1.420 0.0 1  -0.620 180.0 2   0.100 0.0 3
torsion      36   13   29    0      0.000 0.0 1   0.000 180.0 2   0.760 0.0 3
torsion      36   13   29    3      0.000 0.0 1   0.000 180.0 2   0.198 0.0 3
torsion      36   13   29   37      0.000 0.0 1   0.000 180.0 2   0.760 0.0 3
torsion      36   13   29   38      0.000 0.0 1   0.000 180.0 2   0.760 0.0 3
torsion      36   13   29   41      0.000 0.0 1   0.000 180.0 2   0.760 0.0 3
torsion      36   13   29   54      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   13   33   13      0.416 0.0 1  -0.128 180.0 2   0.695 0.0 3
#torsion     13   13   33   13      1.536 0.0 1  -0.128 180.0 2   0.695 0.0 3
#torsion     13   13   33   13      1.464 0.0 1  -0.128 180.0 2   0.695 0.0 3
torsion      13   13   33   34     -0.190 0.0 1  -0.417 180.0 2   0.418 0.0 3
#torsion     13   13   33   34      0.000 0.0 1   4.000 180.0 2   0.000 0.0 3
#torsion     13   13   33   34      0.200 0.0 1  -0.417 180.0 2   0.418 0.0 3
#torsion     13   13   33   34      0.819 0.0 1  -0.417 180.0 2   0.418 0.0 3
#torsion     13   13   33   34      1.522 0.0 1  -0.417 180.0 2   0.418 0.0 3
torsion      36   13   33   13      0.000 0.0 1   0.000 180.0 2   0.560 0.0 3
torsion      36   13   33   34      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion      36   13   33   38      0.000 0.0 1   0.000 180.0 2   0.560 0.0 3
torsion       0   13   35   34      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       3   13   35    3     -2.365 0.0 1   0.912 180.0 2  -0.850 0.0 3
torsion       3   13   35   13     -1.737 0.0 1   1.251 180.0 2  -3.501 0.0 3
torsion       3   13   35   34      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   35    3      0.000 0.0 1   0.462 180.0 2   0.000 0.0 3
#torsion     13   13   35    3     -1.396 0.0 1  -0.427 180.0 2   0.000 0.0 3
#torsion     13   13   35    3      1.130 0.0 1  -1.420 180.0 2   0.440 0.0 3
torsion      13   13   35   13      4.753 0.0 1  -0.734 180.0 2   0.000 0.0 3
#torsion     13   13   35   13      2.859 0.0 1   2.058 180.0 2 -11.266 0.0 3
torsion      13   13   35   34      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   35   49      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   35   69      2.929 0.0 1  -2.533 180.0 2   0.497 0.0 3
torsion      13   13   35   81      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      36   13   35    3      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
#torsion     36   13   35    3      0.000 0.0 1   0.000 180.0 2  -0.139 0.0 3
torsion      36   13   35   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   35   34      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   35   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   35   69      1.362 0.0 1  -1.457 180.0 2   0.149 0.0 3
torsion      38   13   35   49      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   37   13      1.711 0.0 1  -0.500 180.0 2   0.663 0.0 3
torsion       0   13   37   36      0.000 0.0 1   0.000 180.0 2   0.468 0.0 3
torsion       0   13   37   37      0.500 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   37   40      0.500 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       1   13   37   37      0.500 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   37   13      2.817 0.0 1  -0.169 180.0 2   0.543 0.0 3
torsion      13   13   37   37      0.346 0.0 1   0.405 180.0 2  -0.904 0.0 3
torsion      13   13   37   40      0.346 0.0 1   0.405 180.0 2  -0.904 0.0 3
torsion      36   13   37   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   13   37   36      0.000 0.0 1   0.000 180.0 2   0.318 0.0 3
torsion      36   13   37   37      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      36   13   37   40      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      36   13   37  100      0.000 0.0 1   0.000 180.0 2  -0.250 0.0 3
torsion      37   13   37   13      0.000 0.0 1  -8.000 180.0 2   0.000 0.0 3
torsion      37   13   37   36      0.000 0.0 1  -8.000 180.0 2   0.000 0.0 3
torsion       0   13   38   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       1   13   38   38      0.000 0.0 1   0.450 180.0 2   0.000 0.0 3
torsion      13   13   38   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   38   46     -0.500 0.0 1   0.500 180.0 2  -0.500 0.0 3
torsion      30   13   38   38      0.000 0.0 1  -0.400 180.0 2   0.000 0.0 3
torsion      36   13   38   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      54   13   38   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      55   13   38   38      0.000 0.0 1   0.000 180.0 2   0.400 0.0 3
torsion       0   13   40   37      0.500 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   40   40      0.346 0.0 1   0.405 180.0 2  -0.904 0.0 3
torsion      36   13   40   37      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      36   13   40   40      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      36   13   40   99      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      13   13   41    0      1.711 0.0 1  -0.500 180.0 2   0.663 0.0 3
torsion      13   13   41   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   13   41   29      0.000 0.0 1   0.000 180.0 2   0.468 0.0 3
torsion      13   13   43   13      1.438 0.0 1  -0.124 180.0 2   0.264 0.0 3
torsion      13   13   43   34      0.000 0.0 1   0.000 180.0 2   0.347 0.0 3
torsion      36   13   43   13      0.000 0.0 1   0.000 180.0 2   0.302 0.0 3
torsion      36   13   43   34      0.000 0.0 1   0.000 180.0 2   0.261 0.0 3
torsion      36   13   43   38      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      36   13   43   44      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   13   45   34     -0.190 0.0 1  -0.417 180.0 2   0.418 0.0 3
torsion      13   13   45   38      1.829 0.0 1   0.243 180.0 2  -0.498 0.0 3
torsion      13   13   45   44     -0.190 0.0 1  -0.417 180.0 2   0.418 0.0 3
torsion      36   13   45   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   45   34      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   45   38      0.000 0.0 1   0.000 180.0 2   0.177 0.0 3
torsion      13   13   46   18      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   47    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   47    0      1.000 0.0 1  -0.350 180.0 2   0.000 0.0 3
#torsion     13   13   47    0      0.000 0.0 1  -0.576 180.0 2   0.000 0.0 3
torsion      13   13   47   52      2.756 0.0 1  -0.872 180.0 2  -3.680 0.0 3
#torsion     13   13   47   52     -1.000 0.0 1  -0.350 180.0 2   0.000 0.0 3
torsion      13   13   47   72     -1.000 0.0 1  -0.350 180.0 2   0.000 0.0 3
torsion      29   13   47    0      1.500 0.0 1  -1.500 180.0 2   0.000 0.0 3
#torsion     29   13   47    0      0.000 0.0 1  -1.876 180.0 2   0.000 0.0 3
torsion      29   13   47   52     -1.500 0.0 1  -1.500 180.0 2   0.000 0.0 3
torsion      29   13   47   72     -1.500 0.0 1  -1.500 180.0 2   0.000 0.0 3
torsion      13   13   49    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   49   46      0.000 0.0 1   0.500 180.0 2  -0.500 0.0 3
torsion      36   13   49    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   52    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   52    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   54   29      0.000 0.0 1   0.000 180.0 2   0.250 0.0 3
torsion      36   13   54   42      0.000 0.0 1   0.000 180.0 2   0.250 0.0 3
torsion      38   13   54   29      2.250 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      38   13   54   42      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   69   32      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   69   35      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   69   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   69   32      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   69    5      0.000 0.0 1   0.000 180.0 2   0.350 0.0 3
torsion      36   13   69   13      0.000 0.0 1   0.000 180.0 2   0.350 0.0 3
torsion      36   13   69   32      0.000 0.0 1   0.000 180.0 2   0.350 0.0 3
torsion      36   13   69   38      0.000 0.0 1   0.000 180.0 2   0.350 0.0 3
torsion      13   13   70    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   70   50      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   70   74     -0.714 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   70    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   70   50      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   70   74      0.000 0.0 1   0.000 180.0 2  -0.480 0.0 3
torsion      13   13   72    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   72    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   73    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   73    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       1   13   74    0      0.000 0.0 1   0.450 180.0 2   0.000 0.0 3
torsion      13   13   74    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   74   47      1.700 0.0 1  -0.600 180.0 2   0.000 0.0 3
torsion      30   13   74    0      0.000 0.0 1  -0.400 180.0 2   0.000 0.0 3
torsion      36   13   74    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       1   13   77    0      0.000 0.0 1   0.450 180.0 2   0.000 0.0 3
torsion      13   13   77    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      30   13   77    0      0.000 0.0 1  -0.400 180.0 2   0.000 0.0 3
torsion      36   13   77    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   78    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   78    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   13   80    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   80    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   81   81      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   13   85   13      0.000 0.0 1  -1.000 180.0 2   0.000 0.0 3
torsion      13   13   85   36      0.000 0.0 1  -1.000 180.0 2   0.000 0.0 3
torsion      13   13   92   93      0.000 0.0 1   0.400 180.0 2   0.000 0.0 3
torsion      36   13   92   93      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   94   13      1.000 0.0 1  -0.500 180.0 2   0.500 0.0 3
torsion      36   13   94   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion       0   13   95    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   95    0      1.000 0.0 1  -0.350 180.0 2   0.000 0.0 3
torsion      13   13   95   52     -1.000 0.0 1  -0.350 180.0 2   0.000 0.0 3
torsion      13   13   95   72     -1.000 0.0 1  -0.350 180.0 2   0.000 0.0 3
torsion      29   13   95    0      1.500 0.0 1  -1.500 180.0 2   0.000 0.0 3
torsion      29   13   95   52      3.132 0.0 1  -1.491 180.0 2   2.744 0.0 3
#torsion     29   13   95   52     -1.500 0.0 1  -1.500 180.0 2   0.000 0.0 3
torsion      29   13   95   72     -1.500 0.0 1  -1.500 180.0 2   0.000 0.0 3
torsion       3   13   97   13     -1.737 0.0 1   1.251 180.0 2  -3.501 0.0 3
torsion      13   13   97    3     -1.396 0.0 1  -0.427 180.0 2   0.000 0.0 3
torsion      13   13   97   13      4.753 0.0 1  -0.734 180.0 2   0.000 0.0 3
#torsion     13   13   97   13      2.859 0.0 1   2.058 180.0 2 -11.266 0.0 3
torsion      36   13   97    3      0.000 0.0 1   0.000 180.0 2  -0.139 0.0 3
torsion      36   13   97   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   97   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   98   13      1.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   98   34      0.000 0.0 1   0.000 180.0 2   0.260 0.0 3
torsion      36   13   98   13      0.000 0.0 1   0.000 180.0 2   0.180 0.0 3
torsion      36   13   98   29      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   13   98   34      0.000 0.0 1   0.000 180.0 2   0.180 0.0 3
torsion      13   13   99   99      0.346 0.0 1   0.405 180.0 2  -0.904 0.0 3
torsion      36   13   99   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   13   99   36      0.000 0.0 1   0.000 180.0 2   0.318 0.0 3
torsion      36   13   99   99      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      17   15   38    0      0.000 0.0 1   1.100 180.0 2   0.000 0.0 3
#torsion     17   15   38    0     -3.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      17   15   38   38      0.000 0.0 1   1.100 180.0 2   0.000 0.0 3
torsion      13   16   16   13      0.000 0.0 1  -7.414 180.0 2   1.705 0.0 3
torsion      13   16   38   38      0.000 0.0 1   0.600 180.0 2   0.000 0.0 3
torsion      13   16   38   46      1.600 0.0 1   5.100 180.0 2   0.000 0.0 3
torsion      13   16   49   46      0.000 0.0 1   4.800 180.0 2   0.000 0.0 3
torsion      74   16   72    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      74   16   72   51      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      72   16   74   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      72   16   74   73      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      72   16   74   78      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   16   81    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      19   18   38    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      19   18   38   38      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      18   18   46   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      18   18   46   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   19   19    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   19   19   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   19   19   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   19   19   37      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   19   19   99      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   19   19   37      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   19   19   99      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      19   19   37   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      19   19   37   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      19   19   37   37      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   29   33   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   29   33   34      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   29   37   13      0.650 0.0 1  -0.250 180.0 2   0.670 0.0 3
torsion      13   29   37   36      0.000 0.0 1   0.000 180.0 2   0.760 0.0 3
torsion      13   29   37   37     -3.500 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion      13   29   37   40     -3.500 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion       3   29   38   38      0.000 0.0 1   2.500 180.0 2   0.000 0.0 3
torsion      13   29   38   38      0.000 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion      13   29   38   46      0.400 0.0 1   5.500 180.0 2   0.000 0.0 3
torsion      54   29   38   38      0.000 0.0 1   2.990 180.0 2   0.000 0.0 3
torsion      13   29   41    5     -0.375 0.0 1  -1.358 180.0 2   0.004 0.0 3
torsion      13   29   41   13      0.650 0.0 1  -0.250 180.0 2   0.670 0.0 3
torsion      13   29   41   29     -0.375 0.0 1  -1.358 180.0 2   0.004 0.0 3
torsion      13   29   41   36      0.000 0.0 1   0.000 180.0 2   0.760 0.0 3
torsion      13   29   46    3      3.000 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion      13   29   49   46      0.000 0.0 1   5.200 180.0 2   0.000 0.0 3
torsion       0   29   54   42      0.000 0.0 1   0.000 180.0 2   0.562 0.0 3
torsion      13   29   54   13      3.500 0.0 1  -3.300 180.0 2   1.500 0.0 3
torsion      13   29   54   42      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
#torsion     13   29   54   42      0.900 0.0 1  -2.930 180.0 2   2.640 0.0 3
torsion      38   29   54    4      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      74   29   72   51      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      72   29   74   78      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      74   29   74   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      74   29   74   77      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      98   29   98   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      98   29   98   29      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   33   33   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   33   33   34      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      34   33   33   34      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   33   38   38     -7.582 0.0 1   3.431 180.0 2   3.198 0.0 3
torsion      34   33   38   38      0.000 0.0 1   2.030 180.0 2   0.000 0.0 3
torsion      49   33   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      72   33   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      74   33   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      34   33   72   16      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      34   33   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   33   72   16      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   33   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       0   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       3   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      13   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      34   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      49   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      72   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      74   35   38   38      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       0   35   49    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   35   49   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      34   35   49    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   35   50    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   35   69   32      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   35   69   38      2.074 0.0 1  -2.966 180.0 2   2.473 0.0 3
torsion      34   35   69   38      1.671 0.0 1  -4.901 180.0 2   0.669 0.0 3
torsion      13   35   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      34   35   72   16      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
#torsion     34   35   72   16      0.000 0.0 1   2.030 180.0 2   0.000 0.0 3
torsion      34   35   72   29      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
#torsion     34   35   72   29      0.000 0.0 1   2.030 180.0 2   0.000 0.0 3
torsion      34   35   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   35   72   16      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   35   72   29      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   35   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       0   35   74    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       3   35   74   74      0.000 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion      34   35   74   16      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      34   35   74   29      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   35   74   16      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   35   74   29      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion       3   35   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       3   35   76   46      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       3   35   76   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      37   35   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      37   35   76   46      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   35   77    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   35   78    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       3   35   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       3   35   81   79     -1.396 0.0 1  -0.427 180.0 2   0.000 0.0 3
torsion       3   35   81   81     -1.396 0.0 1  -0.427 180.0 2   0.000 0.0 3
torsion      34   35   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      34   35   81   79      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      34   35   81   81      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   35   96    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      37   36   37   13      0.000 0.0 1  -8.000 180.0 2   0.000 0.0 3
torsion      37   36   37   36      0.000 0.0 1  -8.000 180.0 2   0.000 0.0 3
torsion       0   37   37    0      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       0   37   37   19      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       3   37   37   35      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       3   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       5   37   37   13      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       5   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   37   13      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   37   19      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   37   29      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      19   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      29   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      30   37   37   30     -1.600 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      30   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   37   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   37   38      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   38   38      0.205 0.0 1  -0.531 180.0 2   0.000 0.0 3
torsion      36   37   38   38      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      36   37   38   46      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      37   37   38   38      1.241 0.0 1   3.353 180.0 2  -0.286 0.0 3
torsion      13   37   40   13      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   40   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   40   38      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   40   40      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   37   40   99      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      35   37   40    3      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   40   13      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   40   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   40   38      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   40   40      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   37   40   99      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion       0   37   74    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   37   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       3   37   76   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   37   76    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   37   76   35      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   37   77    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   37   78    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      13   37  100   37      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   37  100   37      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   38   38    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   38   38   13      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   38   38   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       1   38   38   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       1   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      13   38   38   13      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      13   38   38   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      13   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      13   38   38   40      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      30   38   38   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      30   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      33   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      37   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   40      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   45   0.0 0. 1  1.62 180. 2  0.0 0. 3  -0.44 180. 4
torsion      38   38   38   50      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   55      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   56      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   38   99      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   40      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   50      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   55      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   56      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   38   99      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      46   38   38   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   40   36      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      38   38   40   37      1.241 0.0 1   3.353 180.0 2  -0.286 0.0 3
torsion      46   38   40   36      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      46   38   40   37      1.241 0.0 1   3.353 180.0 2  -0.286 0.0 3
torsion      38   38   43   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      38   38   43   44      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   38   45   34      0.000 0.0 1   2.030 180.0 2   0.000 0.0 3
torsion      38   38   45   34      0.000 0.0 1   3.900 180.0 2   0.000 0.0 3
torsion      45   38   45   13      0.000 0.0 1   7.936 180.0 2   0.000 0.0 3
torsion      45   38   45   34      0.000 0.0 1   3.900 180.0 2   0.000 0.0 3
torsion      50   38   45   34      0.000 0.0 1   2.030 180.0 2   0.000 0.0 3
torsion       0   38   46    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   46   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   46   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   38   50    0      0.000 0.0 1   7.000 180.0 2   0.000 0.0 3
torsion       0   38   69   32      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      38   38   69   13      0.000 0.0 1  -0.900 180.0 2   0.000 0.0 3
torsion      38   38   69   35      1.656 0.0 1  -0.768 180.0 2  -0.117 0.0 3
torsion      38   38   76   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   76   46      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   38   76   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   76   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   76   46      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   76   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      46   38   76   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      46   38   76   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   38   78   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      46   38   91   13      0.000 0.0 1   3.651 180.0 2   0.000 0.0 3
torsion      38   38   92   93      0.000 0.0 1   1.150 180.0 2   0.000 0.0 3
torsion      38   38   99   13      0.205 0.0 1  -0.531 180.0 2   0.000 0.0 3
torsion      38   38   99   36      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      38   38   99   99      1.241 0.0 1   3.353 180.0 2  -0.286 0.0 3
torsion       0   40   40   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       3   40   40    3      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      13   40   40   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   40   40   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   40   40   37      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
#torsion     13   40   40   37      0.900 0.0 1   0.230 180.0 2  -0.505 0.0 3
torsion      36   40   40   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   40   40   37      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      37   40   40   37      1.423 0.0 1   4.055 180.0 2   0.858 0.0 3
torsion      13   40   99   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      13   40   99   99      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      36   40   99   13      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   40   99   36      0.000 0.0 1   0.000 180.0 2   0.300 0.0 3
torsion      36   40   99   99      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      37   40   99   13      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      37   40   99   36      0.000 0.0 1   0.000 180.0 2  -0.372 0.0 3
torsion      37   40   99   99      1.423 0.0 1   4.055 180.0 2   0.858 0.0 3
torsion      13   43   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      38   43   72   51      0.000 0.0 1   2.100 180.0 2   0.000 0.0 3
torsion      34   45   49    0      0.000 0.0 1   2.030 180.0 2   0.000 0.0 3
torsion      13   46   46   13      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      13   46   46   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   46   46   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   46   49    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   46   49   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   46   50    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   46   52    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   46   72    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
#torsion      0   46   72    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion      38   46   76   38      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   46   76   76      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   47   50    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      34   47   50    0      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion       0   47   51    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   47   52    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   47   71    0      0.000 0.0 1   3.050 180.0 2   0.000 0.0 3
torsion       0   47   72    0      0.000 0.0 1   4.650 180.0 2   0.000 0.0 3
#torsion      0   47   72    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   47   72   39      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion      34   47   72    0      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion       0   47   74    0      0.000 0.0 1   2.800 180.0 2   0.000 0.0 3
#torsion      0   47   74    0      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
#torsion      0   47   74    0      0.000 0.0 1   3.000 180.0 2   0.000 0.0 3
torsion      34   47   74    0      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion      51   47   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      74   47   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   50   50    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   50   51    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   50   70    0      0.000 0.0 1   3.350 180.0 2   0.000 0.0 3
torsion       0   50   71    0      0.000 0.0 1   6.000 180.0 2   0.000 0.0 3
torsion       0   50   77    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   50   77   74      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      50   50   77   74      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   51   51    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   51   52    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   51   72    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
#torsion      0   51   72    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   51   72   39      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion      73   51   72   16      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      78   51   72   16      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      78   51   72   29      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   51   73    0      0.000 0.0 1   4.800 180.0 2   0.000 0.0 3
torsion      72   51   73   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      72   51   73   74      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   51   74    0      0.000 0.0 1  10.000 180.0 2   0.000 0.0 3
torsion       0   51   78    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      72   51   78   74      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   70   74    0      0.000 0.0 1  13.050 180.0 2   0.000 0.0 3
torsion       0   72   74    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      16   72   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      29   72   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      47   72   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      51   72   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   72   77    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
#torsion      0   72   77    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   73   74    0      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion       0   73   74   39      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      39   73   74    0      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      39   73   74   16      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      39   73   74   39      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      51   73   74   16      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      51   73   74   29      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      51   73   74   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   73   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      51   73   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      51   73   77    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      74   73   77    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   74   74    0      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion       0   74   74   39      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      16   74   74   39      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      39   74   74   39      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion       0   74   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      16   74   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      29   74   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      47   74   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   74   77    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   74   77   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   74   77   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   74   78   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      16   74   78   39      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3
torsion      16   74   78   51      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      29   74   78   51      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   74   78    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      39   74   78   51      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion      38   76   76   38      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      38   76   76   46      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      38   76   77    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      38   76   78    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      38   76   78   51      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      46   76   78    0      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   77   77   29      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   77   77   47      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion       0   77   77   77      0.000 0.0 1   2.170 180.0 2   0.000 0.0 3
torsion      39   77   77   39      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       4   79   80   13      0.000 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       4   79   80   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion       4   79   80   38      0.000 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       4   79   80   81      0.000 0.0 1  20.000 180.0 2   0.000 0.0 3
torsion      81   79   80   13      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      81   79   80   34      0.000 0.0 1   4.900 180.0 2   0.000 0.0 3
torsion      81   79   80   38      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion      81   79   80   81      2.300 0.0 1   6.089 180.0 2   0.000 0.0 3
torsion       0   79   81    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4   79   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       4   79   81   81      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      80   79   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      80   79   81   81      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   80   81    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   80   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   80   81   81      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   81   81    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   81   81   35      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   81   81   13      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   81   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   81   81   36      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      36   81   81   81      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      81   81   81   81      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       0   99   99    0      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   99   99   13      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   99   99   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   99   99   38      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   99   99   40      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      13   99   99   99      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   99   99   36      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   99   99   38      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   99   99   40      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      36   99   99   99      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      38   99   99   38      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      38   99   99   40      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      38   99   99   99      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      40   99   99   40      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      40   99   99   99      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
torsion      99   99   99   99      1.423 0.0 1   4.055 180.0 2   0.858 0.0 3


    ################################################################
    ##                                                            ##
    ##  Additional Torsional Parameter Values Used with OPLS-AA   ##
    ##                                                            ##
    ##  The torsions listed below were added to official OPLS-AA  ##
    ##  to complete the set needed for proteins; the values were  ##
    ##  obtained by analogy from the closest OPLS-AA torsions;    ##
    ##  most of the added values are for HIP or N-terminal AAs    ##
    ##                                                            ##
    ################################################################


torsion      35    3   13   43      1.816 0.0 1   1.222 180.0 2   1.581 0.0 3
torsion      42    3   13   35      0.000 0.0 1   0.820 180.0 2   0.000 0.0 3
torsion       3   13   13   43      1.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       3   13   13   73     -1.697 0.0 1  -0.456 180.0 2   0.585 0.0 3
torsion       3   13   13   74     -1.697 0.0 1  -0.456 180.0 2   0.585 0.0 3
torsion       3   13   13   75     -1.697 0.0 1  -0.456 180.0 2   0.585 0.0 3
torsion       5   13   13   43      6.280 0.0 1  -1.467 180.0 2   2.030 0.0 3
torsion      15   13   13   43      1.428 0.0 1   0.086 180.0 2   0.029 0.0 3
torsion      16   13   13   43      1.428 0.0 1   0.086 180.0 2   0.029 0.0 3
torsion      13   13   13   45      2.732 0.0 1  -0.229 180.0 2   0.485 0.0 3
torsion      35   13   13   73      0.845 0.0 1  -0.962 180.0 2   0.713 0.0 3
torsion      43   13   13   73      1.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      35   13   13   74      0.845 0.0 1  -0.962 180.0 2   0.713 0.0 3
torsion      43   13   13   74      1.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      35   13   13   75      0.845 0.0 1  -0.962 180.0 2   0.713 0.0 3
torsion      36   13   13   75      0.000 0.0 1   0.000 180.0 2   0.462 0.0 3
torsion      43   13   13   75      1.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion       3   13   43   13      1.438 0.0 1  -0.124 180.0 2   0.264 0.0 3
torsion       3   13   43   44      0.000 0.0 1   0.000 180.0 2   0.347 0.0 3
torsion      13   13   43   44      0.000 0.0 1   0.000 180.0 2   0.347 0.0 3
torsion      36   13   45   44      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   75    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      13   13   75   47      1.700 0.0 1  -0.600 180.0 2   0.000 0.0 3
torsion      36   13   75    0      0.000 0.0 1   0.000 180.0 2   0.000 0.0 3
torsion      45   38   45   44      0.000 0.0 1   3.900 180.0 2   0.000 0.0 3
torsion       0   38   71    0      0.000 0.0 1   7.250 180.0 2   0.000 0.0 3
torsion       0   47   75    0      0.000 0.0 1   5.000 180.0 2   0.000 0.0 3
torsion       0   75   75    0      0.000 0.0 1  10.750 180.0 2   0.000 0.0 3


      ########################################
      ##                                    ##
      ##  Atomic Partial Charge Parameters  ##
      ##                                    ##
      ########################################


charge        1              -0.2200
charge        2               0.2200
charge        3               0.5500
charge        4              -0.5000
charge        5              -0.5800
charge        6               0.0800
charge        7               0.4500
charge        8               0.0000
charge        9               0.0000
charge       10               0.0000
charge       11               0.0000
charge       12               0.0000
charge       13               0.0000
charge       14               0.0000
charge       15               0.0000
charge       16               0.0000
charge       17               0.0000
charge       18               0.0000
charge       19               0.0000
charge       20              -0.7000
charge       21               0.4350
charge       22               0.2650
charge       23               0.2650
charge       24              -0.4700
charge       25              -0.4500
charge       26              -0.4700
charge       27              -0.3000
charge       28               0.2350
charge       29               0.2700
charge       30               0.1800
charge       31               0.1800
charge       32               0.2350
charge       33               0.2350
charge       34               0.3000
charge       35               0.3000
charge       36              -0.4300
charge       37               0.2800
charge       38               0.1500
charge       39               0.0000
charge       40               0.2410
charge       41              -0.2410
charge       42               0.0000
charge       43               0.0000
charge       44               0.0000
charge       45               0.0000
charge       46               0.0000
charge       47               0.0000
charge       48               0.2650
charge       49               0.2650
charge       50              -0.5000
charge       51               0.2500
charge       52               0.2500
charge       53              -0.8340
charge       54               0.4170
charge       55               0.0000
charge       56               0.5200
charge       57              -1.0400
charge       58              -0.8220
charge       59               0.4110
charge       60               0.5000
charge       61              -0.2500
charge       62               0.4200
charge       63              -0.1400
charge       64               0.2480
charge       65              -0.0620
charge       66               0.1390
charge       67              -0.4590
charge       68               0.1600
charge       69              -1.0200
charge       70               0.3400
charge       71              -0.5000
charge       72              -0.5700
charge       73               0.5000
charge       74               0.2850
charge       75              -0.8200
charge       76               0.4100
charge       77              -0.1800
charge       78              -0.1200
charge       79              -0.0600
charge       80              -0.2400
charge       81               0.0000
charge       82               0.0600
charge       83               0.0000
charge       84              -0.1150
charge       85              -0.2300
charge       86               0.1150
charge       87              -0.1150
charge       88               0.1150
charge       89               0.0000
charge       90              -0.0650
charge       91              -0.0050
charge       92              -0.1150
charge       93              -0.6830
charge       94               0.4180
charge       95               0.0400
charge       96               0.1450
charge       97               0.2050
charge       98               0.2650
charge       99               0.1263
charge      100               0.5323


      ########################################
      ##                                    ##
      ##  Biopolymer Atom Type Conversions  ##
      ##                                    ##
      ########################################


biotype       1    N       "Glycine"                         177
biotype       2    CA      "Glycine"                         162
biotype       3    C       "Glycine"                         174
biotype       4    HN      "Glycine"                         180
biotype       5    O       "Glycine"                         175
biotype       6    HA      "Glycine"                          82
biotype       7    N       "Alanine"                         177
biotype       8    CA      "Alanine"                         163
biotype       9    C       "Alanine"                         174
biotype      10    HN      "Alanine"                         180
biotype      11    O       "Alanine"                         175
biotype      12    HA      "Alanine"                          82
biotype      13    CB      "Alanine"                          77
biotype      14    HB      "Alanine"                          82
biotype      15    N       "Valine"                          177
biotype      16    CA      "Valine"                          163
biotype      17    C       "Valine"                          174
biotype      18    HN      "Valine"                          180
biotype      19    O       "Valine"                          175
biotype      20    HA      "Valine"                           82
biotype      21    CB      "Valine"                           79
biotype      22    HB      "Valine"                           82
biotype      23    CG1     "Valine"                           77
biotype      24    HG1     "Valine"                           82
biotype      25    CG2     "Valine"                           77
biotype      26    HG2     "Valine"                           82
biotype      27    N       "Leucine"                         177
biotype      28    CA      "Leucine"                         163
biotype      29    C       "Leucine"                         174
biotype      30    HN      "Leucine"                         180
biotype      31    O       "Leucine"                         175
biotype      32    HA      "Leucine"                          82
biotype      33    CB      "Leucine"                          78
biotype      34    HB      "Leucine"                          82
biotype      35    CG      "Leucine"                          79
biotype      36    HG      "Leucine"                          82
biotype      37    CD1     "Leucine"                          77
biotype      38    HD1     "Leucine"                          82
biotype      39    CD2     "Leucine"                          77
biotype      40    HD2     "Leucine"                          82
biotype      41    N       "Isoleucine"                      177
biotype      42    CA      "Isoleucine"                      163
biotype      43    C       "Isoleucine"                      174
biotype      44    HN      "Isoleucine"                      180
biotype      45    O       "Isoleucine"                      175
biotype      46    HA      "Isoleucine"                       82
biotype      47    CB      "Isoleucine"                       79
biotype      48    HB      "Isoleucine"                       82
biotype      49    CG1     "Isoleucine"                       77
biotype      50    HG1     "Isoleucine"                       82
biotype      51    CG2     "Isoleucine"                       78
biotype      52    HG2     "Isoleucine"                       82
biotype      53    CD      "Isoleucine"                       77
biotype      54    HD      "Isoleucine"                       82
biotype      55    N       "Serine"                          177
biotype      56    CA      "Serine"                          163
biotype      57    C       "Serine"                          174
biotype      58    HN      "Serine"                          180
biotype      59    O       "Serine"                          175
biotype      60    HA      "Serine"                           82
biotype      61    CB      "Serine"                           96
biotype      62    HB      "Serine"                           82
biotype      63    OG      "Serine"                           93
biotype      64    HG      "Serine"                           94
biotype      65    N       "Threonine"                       177
biotype      66    CA      "Threonine"                       163
biotype      67    C       "Threonine"                       174
biotype      68    HN      "Threonine"                       180
biotype      69    O       "Threonine"                       175
biotype      70    HA      "Threonine"                        82
biotype      71    CB      "Threonine"                        97
biotype      72    HB      "Threonine"                        82
biotype      73    OG1     "Threonine"                        93
biotype      74    HG1     "Threonine"                        94
biotype      75    CG2     "Threonine"                        77
biotype      76    HG2     "Threonine"                        82
biotype      77    N       "Cysteine (SH)"                   177
biotype      78    CA      "Cysteine (SH)"                   163
biotype      79    C       "Cysteine (SH)"                   174
biotype      80    HN      "Cysteine (SH)"                   180
biotype      81    O       "Cysteine (SH)"                   175
biotype      82    HA      "Cysteine (SH)"                    82
biotype      83    CB      "Cysteine (SH)"                   145
biotype      84    HB      "Cysteine (SH)"                    82
biotype      85    SG      "Cysteine (SH)"                   139
biotype      86    HG      "Cysteine (SH)"                   143
biotype      87    N       "Cystine (SS)"                    177
biotype      88    CA      "Cystine (SS)"                    163
biotype      89    C       "Cystine (SS)"                    174
biotype      90    HN      "Cystine (SS)"                    180
biotype      91    O       "Cystine (SS)"                    175
biotype      92    HA      "Cystine (SS)"                     82
biotype      93    CB      "Cystine (SS)"                    153
biotype      94    HB      "Cystine (SS)"                     82
biotype      95    SG      "Cystine (SS)"                    142
biotype      96    N       "Cysteine (S-)"                    -1
biotype      97    CA      "Cysteine (S-)"                    -1
biotype      98    C       "Cysteine (S-)"                    -1
biotype      99    HN      "Cysteine (S-)"                    -1
biotype     100    O       "Cysteine (S-)"                    -1
biotype     101    HA      "Cysteine (S-)"                    -1
biotype     102    CB      "Cysteine (S-)"                    -1
biotype     103    HB      "Cysteine (S-)"                    -1
biotype     104    SG      "Cysteine (S-)"                    -1
biotype     105    N       "Proline"                         178
biotype     106    CA      "Proline"                         185
biotype     107    C       "Proline"                         174
biotype     108    O       "Proline"                         175
biotype     109    HA      "Proline"                          82
biotype     110    CB      "Proline"                          78
biotype     111    HB      "Proline"                          82
biotype     112    CG      "Proline"                          78
biotype     113    HG      "Proline"                          82
biotype     114    CD      "Proline"                         184
biotype     115    HD      "Proline"                          82
biotype     116    N       "Phenylalanine"                   177
biotype     117    CA      "Phenylalanine"                   163
biotype     118    C       "Phenylalanine"                   174
biotype     119    HN      "Phenylalanine"                   180
biotype     120    O       "Phenylalanine"                   175
biotype     121    HA      "Phenylalanine"                    82
biotype     122    CB      "Phenylalanine"                    91
biotype     123    HB      "Phenylalanine"                    82
biotype     124    CG      "Phenylalanine"                    87
biotype     125    CD      "Phenylalanine"                    87
biotype     126    HD      "Phenylalanine"                    88
biotype     127    CE      "Phenylalanine"                    87
biotype     128    HE      "Phenylalanine"                    88
biotype     129    CZ      "Phenylalanine"                    87
biotype     130    HZ      "Phenylalanine"                    88
biotype     131    N       "Tyrosine"                        177
biotype     132    CA      "Tyrosine"                        163
biotype     133    C       "Tyrosine"                        174
biotype     134    HN      "Tyrosine"                        180
biotype     135    O       "Tyrosine"                        175
biotype     136    HA      "Tyrosine"                         82
biotype     137    CB      "Tyrosine"                         91
biotype     138    HB      "Tyrosine"                         82
biotype     139    CG      "Tyrosine"                         87
biotype     140    CD      "Tyrosine"                         87
biotype     141    HD      "Tyrosine"                         88
biotype     142    CE      "Tyrosine"                         87
biotype     143    HE      "Tyrosine"                         88
biotype     144    CZ      "Tyrosine"                        105
biotype     145    OH      "Tyrosine"                        106
biotype     146    HH      "Tyrosine"                        107
biotype     147    N       "Tyrosine (O-)"                    -1
biotype     148    CA      "Tyrosine (O-)"                    -1
biotype     149    C       "Tyrosine (O-)"                    -1
biotype     150    HN      "Tyrosine (O-)"                    -1
biotype     151    O       "Tyrosine (O-)"                    -1
biotype     152    HA      "Tyrosine (O-)"                    -1
biotype     153    CB      "Tyrosine (O-)"                    -1
biotype     154    HB      "Tyrosine (O-)"                    -1
biotype     155    CG      "Tyrosine (O-)"                    -1
biotype     156    CD      "Tyrosine (O-)"                    -1
biotype     157    HD      "Tyrosine (O-)"                    -1
biotype     158    CE      "Tyrosine (O-)"                    -1
biotype     159    HE      "Tyrosine (O-)"                    -1
biotype     160    CZ      "Tyrosine (O-)"                    -1
biotype     161    OH      "Tyrosine (O-)"                    -1
biotype     162    N       "Tryptophan"                      177
biotype     163    CA      "Tryptophan"                      163
biotype     164    C       "Tryptophan"                      174
biotype     165    HN      "Tryptophan"                      180
biotype     166    O       "Tryptophan"                      175
biotype     167    HA      "Tryptophan"                       82
biotype     168    CB      "Tryptophan"                       78
biotype     169    HB      "Tryptophan"                       82
biotype     170    CG      "Tryptophan"                      438
biotype     171    CD1     "Tryptophan"                      452
biotype     172    HD1     "Tryptophan"                       88
biotype     173    CD2     "Tryptophan"                      439
biotype     174    NE1     "Tryptophan"                      441
biotype     175    HE1     "Tryptophan"                      442
biotype     176    CE2     "Tryptophan"                      440
biotype     177    CE3     "Tryptophan"                       87
biotype     178    HE3     "Tryptophan"                       88
biotype     179    CZ2     "Tryptophan"                       87
biotype     180    HZ2     "Tryptophan"                       88
biotype     181    CZ3     "Tryptophan"                       87
biotype     182    HZ3     "Tryptophan"                       88
biotype     183    CH2     "Tryptophan"                       87
biotype     184    HH2     "Tryptophan"                       88
biotype     185    N       "Histidine (+)"                   177
biotype     186    CA      "Histidine (+)"                   163
biotype     187    C       "Histidine (+)"                   174
biotype     188    HN      "Histidine (+)"                   180
biotype     189    O       "Histidine (+)"                   175
biotype     190    HA      "Histidine (+)"                    82
biotype     191    CB      "Histidine (+)"                   443
biotype     192    HB      "Histidine (+)"                    82
biotype     193    CG      "Histidine (+)"                   448
biotype     194    ND1     "Histidine (+)"                   450
biotype     195    HD1     "Histidine (+)"                   451
biotype     196    CD2     "Histidine (+)"                   448
biotype     197    HD2     "Histidine (+)"                    88
biotype     198    CE1     "Histidine (+)"                   447
biotype     199    HE1     "Histidine (+)"                    88
biotype     200    NE2     "Histidine (+)"                   450
biotype     201    HE2     "Histidine (+)"                   451
biotype     202    N       "Histidine (HD)"                  177
biotype     203    CA      "Histidine (HD)"                  163
biotype     204    C       "Histidine (HD)"                  174
biotype     205    HN      "Histidine (HD)"                  180
biotype     206    O       "Histidine (HD)"                  175
biotype     207    HA      "Histidine (HD)"                   82
biotype     208    CB      "Histidine (HD)"                  443
biotype     209    HB      "Histidine (HD)"                   82
biotype     210    CG      "Histidine (HD)"                  446
biotype     211    ND1     "Histidine (HD)"                  441
biotype     212    HD1     "Histidine (HD)"                  442
biotype     213    CD2     "Histidine (HD)"                  445
biotype     214    HD2     "Histidine (HD)"                   88
biotype     215    CE1     "Histidine (HD)"                  444
biotype     216    HE1     "Histidine (HD)"                   88
biotype     217    NE2     "Histidine (HD)"                  449
biotype     218    N       "Histidine (HE)"                  177
biotype     219    CA      "Histidine (HE)"                  163
biotype     220    C       "Histidine (HE)"                  174
biotype     221    HN      "Histidine (HE)"                  180
biotype     222    O       "Histidine (HE)"                  175
biotype     223    HA      "Histidine (HE)"                   82
biotype     224    CB      "Histidine (HE)"                  443
biotype     225    HB      "Histidine (HE)"                   82
biotype     226    CG      "Histidine (HE)"                  445
biotype     227    ND1     "Histidine (HE)"                  449
biotype     228    CD2     "Histidine (HE)"                  446
biotype     229    HD2     "Histidine (HE)"                   88
biotype     230    CE1     "Histidine (HE)"                  444
biotype     231    HE1     "Histidine (HE)"                   88
biotype     232    NE2     "Histidine (HE)"                  441
biotype     233    HE2     "Histidine (HE)"                  442
biotype     234    N       "Aspartic Acid"                   177
biotype     235    CA      "Aspartic Acid"                   163
biotype     236    C       "Aspartic Acid"                   174
biotype     237    HN      "Aspartic Acid"                   180
biotype     238    O       "Aspartic Acid"                   175
biotype     239    HA      "Aspartic Acid"                    82
biotype     240    CB      "Aspartic Acid"                   213
biotype     241    HB      "Aspartic Acid"                    82
biotype     242    CG      "Aspartic Acid"                   210
biotype     243    OD      "Aspartic Acid"                   211
biotype     244    N       "Aspartic Acid (COOH)"             -1
biotype     245    CA      "Aspartic Acid (COOH)"             -1
biotype     246    C       "Aspartic Acid (COOH)"             -1
biotype     247    HN      "Aspartic Acid (COOH)"             -1
biotype     248    O       "Aspartic Acid (COOH)"             -1
biotype     249    HA      "Aspartic Acid (COOH)"             -1
biotype     250    CB      "Aspartic Acid (COOH)"             -1
biotype     251    HB      "Aspartic Acid (COOH)"             -1
biotype     252    CG      "Aspartic Acid (COOH)"             -1
biotype     253    OD1     "Aspartic Acid (COOH)"             -1
biotype     254    OD2     "Aspartic Acid (COOH)"             -1
biotype     255    HD2     "Aspartic Acid (COOH)"             -1
biotype     256    N       "Asparagine"                      177
biotype     257    CA      "Asparagine"                      163
biotype     258    C       "Asparagine"                      174
biotype     259    HN      "Asparagine"                      180
biotype     260    O       "Asparagine"                      175
biotype     261    HA      "Asparagine"                       82
biotype     262    CB      "Asparagine"                       78
biotype     263    HB      "Asparagine"                       82
biotype     264    CG      "Asparagine"                      174
biotype     265    OD1     "Asparagine"                      175
biotype     266    ND2     "Asparagine"                      176
biotype     267    HD2     "Asparagine"                      179
biotype     268    N       "Glutamic Acid"                   177
biotype     269    CA      "Glutamic Acid"                   163
biotype     270    C       "Glutamic Acid"                   174
biotype     271    HN      "Glutamic Acid"                   180
biotype     272    O       "Glutamic Acid"                   175
biotype     273    HA      "Glutamic Acid"                    82
biotype     274    CB      "Glutamic Acid"                    78
biotype     275    HB      "Glutamic Acid"                    82
biotype     276    CG      "Glutamic Acid"                   213
biotype     277    HG      "Glutamic Acid"                    82
biotype     278    CD      "Glutamic Acid"                   210
biotype     279    OE      "Glutamic Acid"                   211
biotype     280    N       "Glutamic Acid (COOH)"             -1
biotype     281    CA      "Glutamic Acid (COOH)"             -1
biotype     282    C       "Glutamic Acid (COOH)"             -1
biotype     283    HN      "Glutamic Acid (COOH)"             -1
biotype     284    O       "Glutamic Acid (COOH)"             -1
biotype     285    HA      "Glutamic Acid (COOH)"             -1
biotype     286    CB      "Glutamic Acid (COOH)"             -1
biotype     287    HB      "Glutamic Acid (COOH)"             -1
biotype     288    CG      "Glutamic Acid (COOH)"             -1
biotype     289    HG      "Glutamic Acid (COOH)"             -1
biotype     290    CD      "Glutamic Acid (COOH)"             -1
biotype     291    OE1     "Glutamic Acid (COOH)"             -1
biotype     292    OE2     "Glutamic Acid (COOH)"             -1
biotype     293    HE2     "Glutamic Acid (COOH)"             -1
biotype     294    N       "Glutamine"                       177
biotype     295    CA      "Glutamine"                       163
biotype     296    C       "Glutamine"                       174
biotype     297    HN      "Glutamine"                       180
biotype     298    O       "Glutamine"                       175
biotype     299    HA      "Glutamine"                        82
biotype     300    CB      "Glutamine"                        78
biotype     301    HB      "Glutamine"                        82
biotype     302    CG      "Glutamine"                        78
biotype     303    HG      "Glutamine"                        82
biotype     304    CD      "Glutamine"                       174
biotype     305    OE1     "Glutamine"                       175
biotype     306    NE2     "Glutamine"                       176
biotype     307    HE2     "Glutamine"                       179
biotype     308    N       "Methionine"                      177
biotype     309    CA      "Methionine"                      163
biotype     310    C       "Methionine"                      174
biotype     311    HN      "Methionine"                      180
biotype     312    O       "Methionine"                      175
biotype     313    HA      "Methionine"                       82
biotype     314    CB      "Methionine"                       78
biotype     315    HB      "Methionine"                       82
biotype     316    CG      "Methionine"                      149
biotype     317    HG      "Methionine"                       82
biotype     318    SD      "Methionine"                      141
biotype     319    CE      "Methionine"                      148
biotype     320    HE      "Methionine"                       82
biotype     321    N       "Lysine"                          177
biotype     322    CA      "Lysine"                          163
biotype     323    C       "Lysine"                          174
biotype     324    HN      "Lysine"                          180
biotype     325    O       "Lysine"                          175
biotype     326    HA      "Lysine"                           82
biotype     327    CB      "Lysine"                           78
biotype     328    HB      "Lysine"                           82
biotype     329    CG      "Lysine"                           78
biotype     330    HG      "Lysine"                           82
biotype     331    CD      "Lysine"                           78
biotype     332    HD      "Lysine"                           82
biotype     333    CE      "Lysine"                          232
biotype     334    HE      "Lysine"                           82
biotype     335    NZ      "Lysine"                          227
biotype     336    HZ      "Lysine"                          230
biotype     337    N       "Lysine (NH2)"                     -1
biotype     338    CA      "Lysine (NH2)"                     -1
biotype     339    C       "Lysine (NH2)"                     -1
biotype     340    HN      "Lysine (NH2)"                     -1
biotype     341    O       "Lysine (NH2)"                     -1
biotype     342    HA      "Lysine (NH2)"                     -1
biotype     343    CB      "Lysine (NH2)"                     -1
biotype     344    HB      "Lysine (NH2)"                     -1
biotype     345    CG      "Lysine (NH2)"                     -1
biotype     346    HG      "Lysine (NH2)"                     -1
biotype     347    CD      "Lysine (NH2)"                     -1
biotype     348    HD      "Lysine (NH2)"                     -1
biotype     349    CE      "Lysine (NH2)"                     -1
biotype     350    HE      "Lysine (NH2)"                     -1
biotype     351    NZ      "Lysine (NH2)"                     -1
biotype     352    HZ      "Lysine (NH2)"                     -1
biotype     353    N       "Arginine"                        177
biotype     354    CA      "Arginine"                        163
biotype     355    C       "Arginine"                        174
biotype     356    HN      "Arginine"                        180
biotype     357    O       "Arginine"                        175
biotype     358    HA      "Arginine"                         82
biotype     359    CB      "Arginine"                         78
biotype     360    HB      "Arginine"                         82
biotype     361    CG      "Arginine"                        248
biotype     362    HG      "Arginine"                         82
biotype     363    CD      "Arginine"                        247
biotype     364    HD      "Arginine"                         82
biotype     365    NE      "Arginine"                        243
biotype     366    HE      "Arginine"                        244
biotype     367    CZ      "Arginine"                        242
biotype     368    NH      "Arginine"                        240
biotype     369    HH      "Arginine"                        241
biotype     370    N       "Ornithine"                       177
biotype     371    CA      "Ornithine"                       163
biotype     372    C       "Ornithine"                       174
biotype     373    HN      "Ornithine"                       180
biotype     374    O       "Ornithine"                       175
biotype     375    HA      "Ornithine"                        82
biotype     376    CB      "Ornithine"                        78
biotype     377    HB      "Ornithine"                        82
biotype     378    CG      "Ornithine"                        78
biotype     379    HG      "Ornithine"                        82
biotype     380    CD      "Ornithine"                       232
biotype     381    HD      "Ornithine"                        82
biotype     382    NE      "Ornithine"                       227
biotype     383    HE      "Ornithine"                       230
biotype     384    N       "MethylAlanine (AIB)"             177
biotype     385    CA      "MethylAlanine (AIB)"             164
biotype     386    C       "MethylAlanine (AIB)"             174
biotype     387    HN      "MethylAlanine (AIB)"             180
biotype     388    O       "MethylAlanine (AIB)"             175
biotype     389    CB      "MethylAlanine (AIB)"              77
biotype     390    HB      "MethylAlanine (AIB)"              82
biotype     391    N       "Pyroglutamic Acid"               177
biotype     392    CA      "Pyroglutamic Acid"               163
biotype     393    C       "Pyroglutamic Acid"               174
biotype     394    HN      "Pyroglutamic Acid"               180
biotype     395    O       "Pyroglutamic Acid"               175
biotype     396    HA      "Pyroglutamic Acid"                82
biotype     397    CB      "Pyroglutamic Acid"                78
biotype     398    HB      "Pyroglutamic Acid"                82
biotype     399    CG      "Pyroglutamic Acid"               213
biotype     400    HG      "Pyroglutamic Acid"                82
biotype     401    CD      "Pyroglutamic Acid"               174
biotype     402    OE      "Pyroglutamic Acid"               175
biotype     403    C       "Formyl N-Terminus"               174
biotype     404    H       "Formyl N-Terminus"               218
biotype     405    O       "Formyl N-Terminus"               175
biotype     406    CH3     "Acetyl N-Terminus"                77
biotype     407    H       "Acetyl N-Terminus"                82
biotype     408    C       "Acetyl N-Terminus"               174
biotype     409    O       "Acetyl N-Terminus"               175
biotype     410    N       "Amide C-Terminus"                176
biotype     411    HN      "Amide C-Terminus"                179
biotype     412    N       "N-MeAmide C-Terminus"            177
biotype     413    HN      "N-MeAmide C-Terminus"            180
biotype     414    CH3     "N-MeAmide C-Terminus"            181
biotype     415    H       "N-MeAmide C-Terminus"             82
biotype     416    N       "N-Terminal GLY"                  227
biotype     417    CA      "N-Terminal GLY"                  232
biotype     418    C       "N-Terminal GLY"                  174
biotype     419    HN      "N-Terminal GLY"                  230
biotype     420    O       "N-Terminal GLY"                  175
biotype     421    HA      "N-Terminal GLY"                   82
biotype     422    N       "N-Terminal ALA"                  227
biotype     423    CA      "N-Terminal ALA"                  233
biotype     424    C       "N-Terminal ALA"                  174
biotype     425    HN      "N-Terminal ALA"                  230
biotype     426    O       "N-Terminal ALA"                  175
biotype     427    HA      "N-Terminal ALA"                   82
biotype     428    N       "N-Terminal VAL"                  227
biotype     429    CA      "N-Terminal VAL"                  233
biotype     430    C       "N-Terminal VAL"                  174
biotype     431    HN      "N-Terminal VAL"                  230
biotype     432    O       "N-Terminal VAL"                  175
biotype     433    HA      "N-Terminal VAL"                   82
biotype     434    N       "N-Terminal LEU"                  227
biotype     435    CA      "N-Terminal LEU"                  233
biotype     436    C       "N-Terminal LEU"                  174
biotype     437    HN      "N-Terminal LEU"                  230
biotype     438    O       "N-Terminal LEU"                  175
biotype     439    HA      "N-Terminal LEU"                   82
biotype     440    N       "N-Terminal ILE"                  227
biotype     441    CA      "N-Terminal ILE"                  233
biotype     442    C       "N-Terminal ILE"                  174
biotype     443    HN      "N-Terminal ILE"                  230
biotype     444    O       "N-Terminal ILE"                  175
biotype     445    HA      "N-Terminal ILE"                   82
biotype     446    N       "N-Terminal SER"                  227
biotype     447    CA      "N-Terminal SER"                  233
biotype     448    C       "N-Terminal SER"                  174
biotype     449    HN      "N-Terminal SER"                  230
biotype     450    O       "N-Terminal SER"                  175
biotype     451    HA      "N-Terminal SER"                   82
biotype     452    N       "N-Terminal THR"                  227
biotype     453    CA      "N-Terminal THR"                  233
biotype     454    C       "N-Terminal THR"                  174
biotype     455    HN      "N-Terminal THR"                  230
biotype     456    O       "N-Terminal THR"                  175
biotype     457    HA      "N-Terminal THR"                   82
biotype     458    N       "N-Terminal CYS (SH)"             227
biotype     459    CA      "N-Terminal CYS (SH)"             233
biotype     460    C       "N-Terminal CYS (SH)"             174
biotype     461    HN      "N-Terminal CYS (SH)"             230
biotype     462    O       "N-Terminal CYS (SH)"             175
biotype     463    HA      "N-Terminal CYS (SH)"              82
biotype     464    N       "N-Terminal CYX (SS)"             227
biotype     465    CA      "N-Terminal CYX (SS)"             233
biotype     466    C       "N-Terminal CYX (SS)"             174
biotype     467    HN      "N-Terminal CYX (SS)"             230
biotype     468    O       "N-Terminal CYX (SS)"             175
biotype     469    HA      "N-Terminal CYX (SS)"              82
biotype     470    N       "N-Terminal CYD (S-)"              -1
biotype     471    CA      "N-Terminal CYD (S-)"              -1
biotype     472    C       "N-Terminal CYD (S-)"              -1
biotype     473    HN      "N-Terminal CYD (S-)"              -1
biotype     474    O       "N-Terminal CYD (S-)"              -1
biotype     475    HA      "N-Terminal CYD (S-)"              -1
biotype     476    N       "N-Terminal PRO"                  249
biotype     477    CA      "N-Terminal PRO"                  235
biotype     478    C       "N-Terminal PRO"                  174
biotype     479    HN      "N-Terminal PRO"                  250
biotype     480    O       "N-Terminal PRO"                  175
biotype     481    HA      "N-Terminal PRO"                   82
biotype     482    CD      "N-Terminal PRO"                  236
biotype     483    HD      "N-Terminal PRO"                   82
biotype     484    N       "N-Terminal PHE"                  227
biotype     485    CA      "N-Terminal PHE"                  233
biotype     486    C       "N-Terminal PHE"                  174
biotype     487    HN      "N-Terminal PHE"                  230
biotype     488    O       "N-Terminal PHE"                  175
biotype     489    HA      "N-Terminal PHE"                   82
biotype     490    N       "N-Terminal TYR"                  227
biotype     491    CA      "N-Terminal TYR"                  233
biotype     492    C       "N-Terminal TYR"                  174
biotype     493    HN      "N-Terminal TYR"                  230
biotype     494    O       "N-Terminal TYR"                  175
biotype     495    HA      "N-Terminal TYR"                   82
biotype     496    N       "N-Terminal TYD (O-)"              -1
biotype     497    CA      "N-Terminal TYD (O-)"              -1
biotype     498    C       "N-Terminal TYD (O-)"              -1
biotype     499    HN      "N-Terminal TYD (O-)"              -1
biotype     500    O       "N-Terminal TYD (O-)"              -1
biotype     501    HA      "N-Terminal TYD (O-)"              -1
biotype     502    N       "N-Terminal TRP"                  227
biotype     503    CA      "N-Terminal TRP"                  233
biotype     504    C       "N-Terminal TRP"                  174
biotype     505    HN      "N-Terminal TRP"                  230
biotype     506    O       "N-Terminal TRP"                  175
biotype     507    HA      "N-Terminal TRP"                   82
biotype     508    N       "N-Terminal HIS (+)"              227
biotype     509    CA      "N-Terminal HIS (+)"              233
biotype     510    C       "N-Terminal HIS (+)"              174
biotype     511    HN      "N-Terminal HIS (+)"              230
biotype     512    O       "N-Terminal HIS (+)"              175
biotype     513    HA      "N-Terminal HIS (+)"               82
biotype     514    N       "N-Terminal HIS (HD)"             227
biotype     515    CA      "N-Terminal HIS (HD)"             233
biotype     516    C       "N-Terminal HIS (HD)"             174
biotype     517    HN      "N-Terminal HIS (HD)"             230
biotype     518    O       "N-Terminal HIS (HD)"             175
biotype     519    HA      "N-Terminal HIS (HD)"              82
biotype     520    N       "N-Terminal HIS (HE)"             227
biotype     521    CA      "N-Terminal HIS (HE)"             233
biotype     522    C       "N-Terminal HIS (HE)"             174
biotype     523    HN      "N-Terminal HIS (HE)"             230
biotype     524    O       "N-Terminal HIS (HE)"             175
biotype     525    HA      "N-Terminal HIS (HE)"              82
biotype     526    N       "N-Terminal ASP"                  227
biotype     527    CA      "N-Terminal ASP"                  233
biotype     528    C       "N-Terminal ASP"                  174
biotype     529    HN      "N-Terminal ASP"                  230
biotype     530    O       "N-Terminal ASP"                  175
biotype     531    HA      "N-Terminal ASP"                   82
biotype     532    N       "N-Terminal ASH (COOH)"            -1
biotype     533    CA      "N-Terminal ASH (COOH)"            -1
biotype     534    C       "N-Terminal ASH (COOH)"            -1
biotype     535    HN      "N-Terminal ASH (COOH)"            -1
biotype     536    O       "N-Terminal ASH (COOH)"            -1
biotype     537    HA      "N-Terminal ASH (COOH)"            -1
biotype     538    N       "N-Terminal ASN"                  227
biotype     539    CA      "N-Terminal ASN"                  233
biotype     540    C       "N-Terminal ASN"                  174
biotype     541    HN      "N-Terminal ASN"                  230
biotype     542    O       "N-Terminal ASN"                  175
biotype     543    HA      "N-Terminal ASN"                   82
biotype     544    N       "N-Terminal GLU"                  227
biotype     545    CA      "N-Terminal GLU"                  233
biotype     546    C       "N-Terminal GLU"                  174
biotype     547    HN      "N-Terminal GLU"                  230
biotype     548    O       "N-Terminal GLU"                  175
biotype     549    HA      "N-Terminal GLU"                   82
biotype     550    N       "N-Terminal GLH (COOH)"            -1
biotype     551    CA      "N-Terminal GLH (COOH)"            -1
biotype     552    C       "N-Terminal GLH (COOH)"            -1
biotype     553    HN      "N-Terminal GLH (COOH)"            -1
biotype     554    O       "N-Terminal GLH (COOH)"            -1
biotype     555    HA      "N-Terminal GLH (COOH)"            -1
biotype     556    N       "N-Terminal GLN"                  227
biotype     557    CA      "N-Terminal GLN"                  233
biotype     558    C       "N-Terminal GLN"                  174
biotype     559    HN      "N-Terminal GLN"                  230
biotype     560    O       "N-Terminal GLN"                  175
biotype     561    HA      "N-Terminal GLN"                   82
biotype     562    N       "N-Terminal MET"                  227
biotype     563    CA      "N-Terminal MET"                  233
biotype     564    C       "N-Terminal MET"                  174
biotype     565    HN      "N-Terminal MET"                  230
biotype     566    O       "N-Terminal MET"                  175
biotype     567    HA      "N-Terminal MET"                   82
biotype     568    N       "N-Terminal LYS"                  227
biotype     569    CA      "N-Terminal LYS"                  233
biotype     570    C       "N-Terminal LYS"                  174
biotype     571    HN      "N-Terminal LYS"                  230
biotype     572    O       "N-Terminal LYS"                  175
biotype     573    HA      "N-Terminal LYS"                   82
biotype     574    N       "N-Terminal LYD (NH2)"             -1
biotype     575    CA      "N-Terminal LYD (NH2)"             -1
biotype     576    C       "N-Terminal LYD (NH2)"             -1
biotype     577    HN      "N-Terminal LYD (NH2)"             -1
biotype     578    O       "N-Terminal LYD (NH2)"             -1
biotype     579    HA      "N-Terminal LYD (NH2)"             -1
biotype     580    N       "N-Terminal ARG"                  227
biotype     581    CA      "N-Terminal ARG"                  233
biotype     582    C       "N-Terminal ARG"                  174
biotype     583    HN      "N-Terminal ARG"                  230
biotype     584    O       "N-Terminal ARG"                  175
biotype     585    HA      "N-Terminal ARG"                   82
biotype     586    N       "N-Terminal ORN"                  227
biotype     587    CA      "N-Terminal ORN"                  233
biotype     588    C       "N-Terminal ORN"                  174
biotype     589    HN      "N-Terminal ORN"                  230
biotype     590    O       "N-Terminal ORN"                  175
biotype     591    HA      "N-Terminal ORN"                   82
biotype     592    N       "N-Terminal AIB"                  227
biotype     593    CA      "N-Terminal AIB"                  234
biotype     594    C       "N-Terminal AIB"                  174
biotype     595    HN      "N-Terminal AIB"                  230
biotype     596    O       "N-Terminal AIB"                  175
biotype     597    N       "C-Terminal GLY"                  177
biotype     598    CA      "C-Terminal GLY"                  223
biotype     599    C       "C-Terminal GLY"                  210
biotype     600    HN      "C-Terminal GLY"                  180
biotype     601    OXT     "C-Terminal GLY"                  211
biotype     602    HA      "C-Terminal GLY"                   82
biotype     603    N       "C-Terminal ALA"                  177
biotype     604    CA      "C-Terminal ALA"                  222
biotype     605    C       "C-Terminal ALA"                  210
biotype     606    HN      "C-Terminal ALA"                  180
biotype     607    OXT     "C-Terminal ALA"                  211
biotype     608    HA      "C-Terminal ALA"                   82
biotype     609    N       "C-Terminal VAL"                  177
biotype     610    CA      "C-Terminal VAL"                  222
biotype     611    C       "C-Terminal VAL"                  210
biotype     612    HN      "C-Terminal VAL"                  180
biotype     613    OXT     "C-Terminal VAL"                  211
biotype     614    HA      "C-Terminal VAL"                   82
biotype     615    N       "C-Terminal LEU"                  177
biotype     616    CA      "C-Terminal LEU"                  222
biotype     617    C       "C-Terminal LEU"                  210
biotype     618    HN      "C-Terminal LEU"                  180
biotype     619    OXT     "C-Terminal LEU"                  211
biotype     620    HA      "C-Terminal LEU"                   82
biotype     621    N       "C-Terminal ILE"                  177
biotype     622    CA      "C-Terminal ILE"                  222
biotype     623    C       "C-Terminal ILE"                  210
biotype     624    HN      "C-Terminal ILE"                  180
biotype     625    OXT     "C-Terminal ILE"                  211
biotype     626    HA      "C-Terminal ILE"                   82
biotype     627    N       "C-Terminal SER"                  177
biotype     628    CA      "C-Terminal SER"                  222
biotype     629    C       "C-Terminal SER"                  210
biotype     630    HN      "C-Terminal SER"                  180
biotype     631    OXT     "C-Terminal SER"                  211
biotype     632    HA      "C-Terminal SER"                   82
biotype     633    N       "C-Terminal THR"                  177
biotype     634    CA      "C-Terminal THR"                  222
biotype     635    C       "C-Terminal THR"                  210
biotype     636    HN      "C-Terminal THR"                  180
biotype     637    OXT     "C-Terminal THR"                  211
biotype     638    HA      "C-Terminal THR"                   82
biotype     639    N       "C-Terminal CYS (SH)"             177
biotype     640    CA      "C-Terminal CYS (SH)"             222
biotype     641    C       "C-Terminal CYS (SH)"             210
biotype     642    HN      "C-Terminal CYS (SH)"             180
biotype     643    OXT     "C-Terminal CYS (SH)"             211
biotype     644    HA      "C-Terminal CYS (SH)"              82
biotype     645    N       "C-Terminal CYX (SS)"             177
biotype     646    CA      "C-Terminal CYX (SS)"             222
biotype     647    C       "C-Terminal CYX (SS)"             210
biotype     648    HN      "C-Terminal CYX (SS)"             180
biotype     649    OXT     "C-Terminal CYX (SS)"             211
biotype     650    HA      "C-Terminal CYX (SS)"              82
biotype     651    N       "C-Terminal CYD (S-)"              -1
biotype     652    CA      "C-Terminal CYD (S-)"              -1
biotype     653    C       "C-Terminal CYD (S-)"              -1
biotype     654    HN      "C-Terminal CYD (S-)"              -1
biotype     655    OXT     "C-Terminal CYD (S-)"              -1
biotype     656    HA      "C-Terminal CYD (S-)"              -1
biotype     657    N       "C-Terminal PRO"                  178
biotype     658    CA      "C-Terminal PRO"                  225
biotype     659    C       "C-Terminal PRO"                  210
biotype     660    OXT     "C-Terminal PRO"                  211
biotype     661    HA      "C-Terminal PRO"                   82
biotype     662    N       "C-Terminal PHE"                  177
biotype     663    CA      "C-Terminal PHE"                  222
biotype     664    C       "C-Terminal PHE"                  210
biotype     665    HN      "C-Terminal PHE"                  180
biotype     666    OXT     "C-Terminal PHE"                  211
biotype     667    HA      "C-Terminal PHE"                   82
biotype     668    N       "C-Terminal TYR"                  177
biotype     669    CA      "C-Terminal TYR"                  222
biotype     670    C       "C-Terminal TYR"                  210
biotype     671    HN      "C-Terminal TYR"                  180
biotype     672    OXT     "C-Terminal TYR"                  211
biotype     673    HA      "C-Terminal TYR"                   82
biotype     674    N       "C-Terminal TYD (O-)"              -1
biotype     675    CA      "C-Terminal TYD (O-)"              -1
biotype     676    C       "C-Terminal TYD (O-)"              -1
biotype     677    HN      "C-Terminal TYD (O-)"              -1
biotype     678    OXT     "C-Terminal TYD (O-)"              -1
biotype     679    HA      "C-Terminal TYD (O-)"              -1
biotype     680    N       "C-Terminal TRP"                  177
biotype     681    CA      "C-Terminal TRP"                  222
biotype     682    C       "C-Terminal TRP"                  210
biotype     683    HN      "C-Terminal TRP"                  180
biotype     684    OXT     "C-Terminal TRP"                  211
biotype     685    HA      "C-Terminal TRP"                   82
biotype     686    N       "C-Terminal HIS (+)"              177
biotype     687    CA      "C-Terminal HIS (+)"              222
biotype     688    C       "C-Terminal HIS (+)"              210
biotype     689    HN      "C-Terminal HIS (+)"              180
biotype     690    OXT     "C-Terminal HIS (+)"              211
biotype     691    HA      "C-Terminal HIS (+)"               82
biotype     692    N       "C-Terminal HIS (HD)"             177
biotype     693    CA      "C-Terminal HIS (HD)"             222
biotype     694    C       "C-Terminal HIS (HD)"             210
biotype     695    HN      "C-Terminal HIS (HD)"             180
biotype     696    OXT     "C-Terminal HIS (HD)"             211
biotype     697    HA      "C-Terminal HIS (HD)"              82
biotype     698    N       "C-Terminal HIS (HE)"             177
biotype     699    CA      "C-Terminal HIS (HE)"             222
biotype     700    C       "C-Terminal HIS (HE)"             210
biotype     701    HN      "C-Terminal HIS (HE)"             180
biotype     702    OXT     "C-Terminal HIS (HE)"             211
biotype     703    HA      "C-Terminal HIS (HE)"              82
biotype     704    N       "C-Terminal ASP"                  177
biotype     705    CA      "C-Terminal ASP"                  222
biotype     706    C       "C-Terminal ASP"                  210
biotype     707    HN      "C-Terminal ASP"                  180
biotype     708    OXT     "C-Terminal ASP"                  211
biotype     709    HA      "C-Terminal ASP"                   82
biotype     710    N       "C-Terminal ASH (COOH)"            -1
biotype     711    CA      "C-Terminal ASH (COOH)"            -1
biotype     712    C       "C-Terminal ASH (COOH)"            -1
biotype     713    HN      "C-Terminal ASH (COOH)"            -1
biotype     714    OXT     "C-Terminal ASH (COOH)"            -1
biotype     715    HA      "C-Terminal ASH (COOH)"            -1
biotype     716    N       "C-Terminal ASN"                  177
biotype     717    CA      "C-Terminal ASN"                  222
biotype     718    C       "C-Terminal ASN"                  210
biotype     719    HN      "C-Terminal ASN"                  180
biotype     720    OXT     "C-Terminal ASN"                  211
biotype     721    HA      "C-Terminal ASN"                   82
biotype     722    N       "C-Terminal GLU"                  177
biotype     723    CA      "C-Terminal GLU"                  222
biotype     724    C       "C-Terminal GLU"                  210
biotype     725    HN      "C-Terminal GLU"                  180
biotype     726    OXT     "C-Terminal GLU"                  211
biotype     727    HA      "C-Terminal GLU"                   82
biotype     728    N       "C-Terminal GLH (COOH)"            -1
biotype     729    CA      "C-Terminal GLH (COOH)"            -1
biotype     730    C       "C-Terminal GLH (COOH)"            -1
biotype     731    HN      "C-Terminal GLH (COOH)"            -1
biotype     732    OXT     "C-Terminal GLH (COOH)"            -1
biotype     733    HA      "C-Terminal GLH (COOH)"            -1
biotype     734    N       "C-Terminal GLN"                  177
biotype     735    CA      "C-Terminal GLN"                  222
biotype     736    C       "C-Terminal GLN"                  210
biotype     737    HN      "C-Terminal GLN"                  180
biotype     738    OXT     "C-Terminal GLN"                  211
biotype     739    HA      "C-Terminal GLN"                   82
biotype     740    N       "C-Terminal MET"                  177
biotype     741    CA      "C-Terminal MET"                  222
biotype     742    C       "C-Terminal MET"                  210
biotype     743    HN      "C-Terminal MET"                  180
biotype     744    OXT     "C-Terminal MET"                  211
biotype     745    HA      "C-Terminal MET"                   82
biotype     746    N       "C-Terminal LYS"                  177
biotype     747    CA      "C-Terminal LYS"                  222
biotype     748    C       "C-Terminal LYS"                  210
biotype     749    HN      "C-Terminal LYS"                  180
biotype     750    OXT     "C-Terminal LYS"                  211
biotype     751    HA      "C-Terminal LYS"                   82
biotype     752    N       "C-Terminal LYD (NH2)"             -1
biotype     753    CA      "C-Terminal LYD (NH2)"             -1
biotype     754    C       "C-Terminal LYD (NH2)"             -1
biotype     755    HN      "C-Terminal LYD (NH2)"             -1
biotype     756    OXT     "C-Terminal LYD (NH2)"             -1
biotype     757    HA      "C-Terminal LYD (NH2)"             -1
biotype     758    N       "C-Terminal ARG"                  177
biotype     759    CA      "C-Terminal ARG"                  222
biotype     760    C       "C-Terminal ARG"                  210
biotype     761    HN      "C-Terminal ARG"                  180
biotype     762    OXT     "C-Terminal ARG"                  211
biotype     763    HA      "C-Terminal ARG"                   82
biotype     764    N       "C-Terminal ORN"                  177
biotype     765    CA      "C-Terminal ORN"                  222
biotype     766    C       "C-Terminal ORN"                  210
biotype     767    HN      "C-Terminal ORN"                  180
biotype     768    OXT     "C-Terminal ORN"                  211
biotype     769    HA      "C-Terminal ORN"                   82
biotype     770    N       "C-Terminal AIB"                  177
biotype     771    CA      "C-Terminal AIB"                  224
biotype     772    C       "C-Terminal AIB"                  210
biotype     773    HN      "C-Terminal AIB"                  180
biotype     774    OXT     "C-Terminal AIB"                  211
