* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    149    220     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081   101.05485   -46.29171
    3     1 S   H    _H1_     3     1.02114    76.04218    60.44962
    4     1 S   H    _H2_     4     1.02187    38.62061  -152.40944
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C19    36     1.84296    98.16186  -158.19456
   34    33 S   HC   _H3_    37     1.13667   104.62764    42.46827
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C12    38     1.53358   113.74055   159.98769
   39    38 S   CMA  _C11    39     1.36059   120.68381   154.53670
   40    39 S   OM   _O22    40     1.26257   131.74858   179.15814
   41    38 S   CT   _C24    76     1.51497   118.34592   -29.77156
   42    41 S   HC   _H48    77     1.08956   107.92680  -145.68473
   43    41 S   HC   _H49    78     1.08957   107.80033   -29.36794
   44    39 S   CM   _C10    41     1.46600   118.35392     2.30376
   45    44 S   HC   _H31    42     1.09232   119.09046   159.61531
   46    41 S   CM   _C16    79     1.49064   111.42283    93.68889
   47    46 S   HC   _H35    80     1.08730   117.87474    61.18003
   48    44 S   CM   _C13    43     1.34338   122.74864   -17.27594
   49    46 S   CM   _C14    81     1.33851   123.64117  -120.47514
   50    49 S   HC   _H32    82     1.08435   121.53175  -180.00000
   51    49 S   HC   _H33    83     1.08410   120.45494    -0.06256
   52    33 S   CT   _C20    44     1.56463   110.71405   -70.31429
   53    48 S   OS   _O25    71     1.38119   122.30223  -179.26246
   54    52 S   CM   _C17    45     1.50767   114.49317   -46.16657
   55    52 S   OS   _O26    66     1.43555   106.47890    73.48084
   56    53 S   CT   _C22    72     1.40559   112.56321    59.91239
   57    56 S   HC   _H42    73     1.09267   109.55093  -180.00000
   58    56 S   HC   _H43    74     1.09345   109.47722    59.20333
   59    56 S   HC   _H44    75     1.09286   109.00529   -60.34930
   60    54 S   CM   _C15    46     1.34741   120.26398   -33.39319
   61    60 S   HC   _H34    47     1.08738   119.76057     1.34028
   62    54 S   CT   _C21    62     1.50395   114.42740   145.96051
   63    62 S   HC   _H39    63     1.09422   110.09518   -89.29147
   64    62 S   HC   _H40    64     1.09548   110.10534   151.36793
   65    62 S   HC   _H41    65     1.09293   113.38676    31.72022
   66    55 S   CT   _C23    67     1.41398   110.86212    78.31795
   67    66 S   HC   _H45    68     1.09342   109.52238  -179.96574
   68    66 S   HC   _H46    69     1.09304   109.55833    59.25848
   69    66 S   HC   _H47    70     1.09276   109.03751   -60.40291
   70    60 S   CA   _C7_    48     1.46635   126.01745  -179.17008
   71    70 S   CA   _C4_    49     1.40500   119.67872   120.45936
   72    71 S   HA   _H28    50     1.08822   120.48705     0.02798
   73    71 S   CA   _C5_    51     1.39753   120.63399   179.97202
   74    73 S   HA   _H29    52     1.08391   120.85234   180.00000
   75    73 S   CA   _C8_    53     1.37997   117.62488     0.03956
   76    75 S   CA   _C9_    54     1.37653   121.73015    -0.02798
   77    70 S   CA   _C6_    55     1.39743   119.72515   -59.52653
   78    77 S   HA   _H30    56     1.08529   121.67786     0.00000
   79    76 S   OS   _O24    57     1.36092   112.29112  -179.95154
   80    79 S   CO   _C18    58     1.44194   101.03634    -0.04423
   81    80 S   HC   _H36    59     1.09648   108.72374  -120.84339
   82    80 S   HC   _H37    60     1.09592   108.71223   120.95186
   83    75 S   OS   _O23    61     1.36059   125.91038  -179.97202
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  14  10   4   9   4   3   7   3   4   3  11
   2   1   1  15   6  11   6   3   2   1   1  12   4   4   2   1
   1   3   2   1   1   9   8   4   7   3   8   7   4   1   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    52    54    55    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    48    52    54    60    62    55    66    53    41    42    43    46  
   38    39    48    52    54    55    41  
   36    37  
   37  
    0  
   39    40    44    45    48    52    54    55    41    42    43    46    47    49  
   40    44    45    48    52    53    41    42    43    46  
   44    45    48    41  
   42    43    46    47    49    50    51    44    52  
   43    46    47    49  
   46    47    49  
   45    48    52    54    55    53    56  
   48    52    53  
   47    49    50    51  
   49    50    51  
   52    54    60    62    55    66    53    56    57    58    59  
   50    51  
   51  
    0  
   54    60    61    70    62    63    64    65    55    66    67    68    69    53    56  
   56    57    58    59    54    55  
   60    61    70    71    77    62    63    64    65    55    66  
   66    67    68    69    60    62  
   57    58    59  
   58    59  
   59  
    0  
   61    70    71    72    73    76    77    78    62    63    64    65  
   70    71    77    62  
   63    64    65    70  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    83  
   73    74    75    77  
   74    75    76    77    79    80    83  
   75    76    83  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80    83  
   79  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.338000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    44   465.000  1.376
   44    45   340.000  1.080
   44    48   549.000  1.340
   48    52   317.000  1.510
   48    53   440.000  1.360
   52    54   317.000  1.510
   52    55   320.000  1.410
   54    60   549.000  1.340
   54    62   317.000  1.510
   60    61   340.000  1.080
   60    70   320.000  1.460
   70    71   469.000  1.400
   70    77   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    83   450.000  1.364
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   79    80   320.000  1.380
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   320.000  1.380
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   55    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.510
   46    47   340.000  1.080
   46    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    52    48    70.00000  112.02700
   33    52    54    70.00000  112.02700
   33    52    55    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    44    70.00000  123.01800
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    46    70.00000  110.12100
   39    44    45    40.00000  120.50800
   39    44    48    70.00000  117.34000
   44    39    40    65.00000  137.10300
   44    48    52    70.00000  124.00000
   44    48    53    80.00000  120.01400
   48    44    45    35.00000  120.00000
   48    52    54    70.00000  110.12100
   48    52    55    85.00000  110.90400
   48    53    56    90.00000  111.18400
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    54    60    70.00000  124.00000
   52    54    62    65.00000  117.92700
   52    55    66    60.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    70    60.00000  123.20500
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    70    71    60.00000  120.93500
   60    70    77    60.00000  120.93500
   70    60    61    40.00000  117.26300
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    77    76    63.00000  120.00000
   70    77    78    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    83    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    63.00000  120.00000
   75    76    79    70.00000  120.00000
   75    83    80   100.00000  112.36700
   76    77    78    35.00000  120.00000
   76    79    80   100.00000  112.36700
   77    70    71    63.00000  120.00000
   79    76    77    70.00000  120.00000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    92.60000  111.55000
   82    80    81    33.00000  109.50000
   83    75    76    70.00000  120.00000
   83    80    81    35.00000  109.50000
   83    80    82    35.00000  109.50000
   62    54    60    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   55    52    54    85.00000  110.90400
   55    66    67    35.00000  109.50000
   55    66    68    35.00000  109.50000
   55    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    48    52    85.00000  112.85300
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   41    38    39    70.00000  124.00000
   41    46    47    35.00000  117.00000
   41    46    49    70.00000  124.00000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    51    35.00000  120.00000
   49    46    47    35.00000  120.00000
   51    49    50    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    52    48   0.56750  1.0 1.0
   29    33    52    48  -0.07550 -1.0 2.0
   29    33    52    48   0.20000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   29    33    52    55   0.56750  1.0 1.0
   29    33    52    55  -0.07550 -1.0 2.0
   29    33    52    55   0.20000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    46   0.09700  1.0 1.0
   33    38    41    46   0.15600 -1.0 2.0
   33    38    41    46  -0.50800  1.0 3.0
   33    52    54    60   0.09850  1.0 1.0
   33    52    54    60   0.15250 -1.0 2.0
   33    52    54    60  -0.50650  1.0 3.0
   33    52    54    62   0.46850  1.0 1.0
   33    52    54    62   0.08550 -1.0 2.0
   33    52    54    62   0.09800  1.0 3.0
   33    52    55    66   0.06250  1.0 1.0
   33    52    55    66  -0.01100 -1.0 2.0
   33    52    55    66   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    54   0.15000  1.0 3.0
   34    33    52    55   0.23400  1.0 3.0
   38    33    52    48   0.31000  1.0 1.0
   38    33    52    48   0.14700 -1.0 2.0
   38    33    52    48   0.07550  1.0 3.0
   38    33    52    54   0.31000  1.0 1.0
   38    33    52    54   0.14700 -1.0 2.0
   38    33    52    54   0.07550  1.0 3.0
   38    33    52    55   0.61850  1.0 1.0
   38    33    52    55  -0.22750 -1.0 2.0
   38    33    52    55   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    48   7.00000 -1.0 2.0
   38    41    46    47   0.00000  1.0 1.0
   38    41    46    49  -0.28300  1.0 1.0
   38    41    46    49   0.26700 -1.0 2.0
   38    41    46    49  -0.63300  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    46  -0.28300  1.0 1.0
   39    38    41    46   0.26700 -1.0 2.0
   39    38    41    46  -0.63300  1.0 3.0
   39    44    48    52   7.00000 -1.0 2.0
   39    44    48    53   7.00000 -1.0 2.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    48   7.00000 -1.0 2.0
   44    48   -52    33   0.09850  1.0 1.0
   44    48   -52    33   0.15250 -1.0 2.0
   44    48   -52    33  -0.50650  1.0 3.0
   44    48    52    54  -0.28300  1.0 1.0
   44    48    52    54   0.26700 -1.0 2.0
   44    48    52    54  -0.63300  1.0 3.0
   44    48    52    55   0.39000  1.0 1.0
   44    48    52    55  -0.05800 -1.0 2.0
   44    48    52    55  -0.55150  1.0 3.0
   44    48    53    56  -2.26850  1.0 1.0
   44    48    53    56   3.39050 -1.0 2.0
   45    44    48    52   7.00000 -1.0 2.0
   45    44    48    53   7.00000 -1.0 2.0
   48    52    54    60  -0.28300  1.0 1.0
   48    52    54    60   0.26700 -1.0 2.0
   48    52    54    60  -0.63300  1.0 3.0
   48    52    54    62   0.09700  1.0 1.0
   48    52    54    62   0.15600 -1.0 2.0
   48    52    54    62  -0.50800  1.0 3.0
   48    52    55    66  -0.77900  1.0 1.0
   48    52    55    66  -0.36900 -1.0 2.0
   48    52    55    66   0.40400  1.0 3.0
   48    53    56    57   0.08050  1.0 3.0
   48    53    56    58   0.08050  1.0 3.0
   48    53    56    59   0.08050  1.0 3.0
   52    33   -38    39   0.09850  1.0 1.0
   52    33   -38    39   0.15250 -1.0 2.0
   52    33   -38    39  -0.50650  1.0 3.0
   52    33    38    41   0.46850  1.0 1.0
   52    33    38    41   0.08550 -1.0 2.0
   52    33    38    41   0.09800  1.0 3.0
   52    48    53    56   2.00000 -1.0 2.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    70   7.00000 -1.0 2.0
   52    54    62    63   0.34800  1.0 3.0
   52    54    62    64   0.34800  1.0 3.0
   52    54    62    65   0.34800  1.0 3.0
   52    55    66    67   0.37050  1.0 3.0
   52    55    66    68   0.37050  1.0 3.0
   52    55    66    69   0.37050  1.0 3.0
   54    52    55    66  -0.77900  1.0 1.0
   54    52    55    66  -0.36900 -1.0 2.0
   54    52    55    66   0.40400  1.0 3.0
   54    60    70    71   0.15800  1.0 1.0
   54    60    70    71   1.85350 -1.0 2.0
   54    60    70    71  -0.48700  1.0 3.0
   54    60    70    77   0.15800  1.0 1.0
   54    60    70    77   1.85350 -1.0 2.0
   54    60    70    77  -0.48700  1.0 3.0
   60    54    62    63   0.00000  1.0 1.0
   60    54    62    64   0.00000  1.0 1.0
   60    54    62    65   0.00000  1.0 1.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    77    76   3.62500 -1.0 2.0
   60    70    77    78   3.62500 -1.0 2.0
   61    60    70    71   0.56550  1.0 3.0
   61    60    70    77   0.56550  1.0 3.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   71    70    77    76   3.62500 -1.0 2.0
   71    70    77    78   3.62500 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    83   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    83    80   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    83   3.62500 -1.0 2.0
   75    76   -77    70   3.62500 -1.0 2.0
   75    76    77    78   3.62500 -1.0 2.0
   75    76   -79    80   1.63200 -1.0 2.0
   76    75   -83    80   1.63200 -1.0 2.0
   76    79    80    81   0.08050  1.0 3.0
   76    79    80    82   0.08050  1.0 3.0
   76    79   -80    83  -0.25600  1.0 1.0
   76    79   -80    83  -0.40050 -1.0 2.0
   76    79   -80    83   0.34700  1.0 3.0
   77    70    71    72   3.62500 -1.0 2.0
   77    70   -71    73   3.62500 -1.0 2.0
   77    76    79    80   1.63200 -1.0 2.0
   79    76    77    70   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    80   -83    75  -0.25600  1.0 1.0
   79    80   -83    75  -0.40050 -1.0 2.0
   79    80   -83    75   0.34700  1.0 3.0
   81    80    83    75   0.08050  1.0 3.0
   82    80    83    75   0.08050  1.0 3.0
   83    75    76    77   3.62500 -1.0 2.0
   83    75   -76    79   3.62500 -1.0 2.0
   62    54    60    61   7.00000 -1.0 2.0
   62    54    60    70   7.00000 -1.0 2.0
   55    52    54    60   0.39000  1.0 1.0
   55    52    54    60  -0.05800 -1.0 2.0
   55    52    54    60  -0.55150  1.0 3.0
   55    52    54    62   0.09700  1.0 1.0
   55    52    54    62   0.15600 -1.0 2.0
   55    52    54    62  -0.50800  1.0 3.0
   53    48    52    33   0.09700  1.0 1.0
   53    48    52    33   0.15600 -1.0 2.0
   53    48    52    33  -0.50800  1.0 3.0
   53    48    52    54   0.09700  1.0 1.0
   53    48    52    54   0.15600 -1.0 2.0
   53    48    52    54  -0.50800  1.0 3.0
   53    48    52    55   0.09700  1.0 1.0
   53    48    52    55   0.15600 -1.0 2.0
   53    48    52    55  -0.50800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    44   7.00000 -1.0 2.0
   41    46    49    50   7.00000 -1.0 2.0
   41    46    49    51   7.00000 -1.0 2.0
   42    41    46    47   0.33100  1.0 3.0
   42    41    46    49   0.00000  1.0 1.0
   43    41    46    47   0.33100  1.0 3.0
   43    41    46    49   0.00000  1.0 1.0
   47    46    49    50   7.00000 -1.0 2.0
   47    46    49    51   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   44    40    39    38   1.10000 -1.0 2.0
   39    45    44    48   1.10000 -1.0 2.0
   52    53    48    44   1.10000 -1.0 2.0
   52    62    54    60  15.00000 -1.0 2.0
   70    61    60    54  15.00000 -1.0 2.0
   71    77    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    83    75    73   4.00000 -1.0 2.0
   77    79    76    75   4.00000 -1.0 2.0
   76    78    77    70   1.10000 -1.0 2.0
   41    47    46    49  15.00000 -1.0 2.0
   50    51    49    46  15.00000 -1.0 2.0
END
