* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    147    246     431
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02155    74.86853   -90.62258
    3     1 S   H    _H1_     3     1.02022   101.73516    15.78936
    4     1 S   H    _H2_     4     1.02124    39.45021   121.02830
    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   _C22    36     1.83907    98.16196   161.78244
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CA   _C15    37     1.53548   110.24207    59.99191
   38    33 S   CM   _C16    58     1.53584   112.99488  -174.43694
   39    37 S   CA   _C11    38     1.39470   119.98601  -113.60467
   40    39 S   HA   _H35    39     1.08769   120.49539    -0.06561
   41    38 S   N4   _N22    59     1.36843   108.17094   138.74213
   42    38 S   CMA  _C18    77     1.34021   128.85182   -35.95309
   43    42 S   OM   _O23    78     1.26807   126.35730    -0.10279
   44    39 S   CA   _C9_    40     1.39381   120.01027   179.94405
   45    44 S   HA   _H33    41     1.08731   119.19585   179.95154
   46    41 S   C4   _C17    60     1.35585   131.08002  -130.66231
   47    46 S   O    _O24    61     1.20858   133.68800   -42.71018
   48    41 S   C4T  _C21    64     1.46160   113.11696    -6.31742
   49    48 S   HC   _H40    65     1.09719   111.54525   103.50331
   50    42 S   OH   _O25    79     1.40853   111.87027   180.00000
   51    50 S   HO   _H45    80     0.97410   105.60916   180.00000
   52    44 S   CA   _C14    42     1.39529   119.97606     0.01978
   53    46 S   C4T  _C20    62     1.55222    90.07487   131.42043
   54    53 S   HC   _H39    63     1.09739   111.92186   112.05173
   55    33 S   CT   _C19    66     1.56840   106.10184   -66.99052
   56    55 S   HC   _H37    67     1.09649   112.44496    85.89257
   57    55 S   HC   _H38    68     1.09713   111.35909   -35.43786
   58    52 S   CA   _C10    43     1.39455   120.03109     0.00000
   59    58 S   HA   _H34    44     1.08744   120.91345  -179.94405
   60    52 S   CA   _C13    47     1.44703   119.98306   180.00000
   61    53 S   CT   _C24    69     1.50977   114.75562  -119.73423
   62    61 S   HC   _H44    70     1.09826   110.08517    40.00303
   63    37 S   CA   _C12    45     1.39433   120.00152    66.38315
   64    63 S   HA   _H36    46     1.08689   120.50382    -0.06853
   65    60 S   CA   _C7_    48     1.39512   120.02660   -90.00103
   66    65 S   HA   _H31    49     1.08796   120.82113     0.04423
   67    61 S   CT   _C23    71     1.52619   112.29255   -81.65237
   68    67 S   HC   _H41    72     1.09440   111.11739   -57.74377
   69    67 S   HC   _H42    73     1.09551   110.72014  -178.56047
   70    67 S   HC   _H43    74     1.09605   110.87528    63.18546
   71    61 S   OH   _O26    75     1.42789   109.69591   157.46661
   72    71 S   HO   _H46    76     0.96874   106.39140   179.95577
   73    65 S   CA   _C5_    50     1.39470   120.03381  -179.97202
   74    73 S   HA   _H29    51     1.08563   120.02202  -179.92598
   75    73 S   CA   _C4_    52     1.39543   119.95514    -0.02798
   76    75 S   HA   _H28    53     1.08635   120.01020  -179.83687
   77    75 S   CA   _C6_    54     1.39502   120.04564     0.02798
   78    77 S   HA   _H30    55     1.08537   120.04574  -179.92598
   79    60 S   CA   _C8_    56     1.39488   119.99644    90.00916
   80    79 S   HA   _H32    57     1.08758   120.88951    -0.02798
  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  11   5   4   3
  19   2   1   1  16  15   9   4  13   6   2   8   3  10   4  10
   6   1   1  11  12   5   4   1   1   6   3  10   7   6   1   1
   8   4   5   3   2   1   1   1   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    63    38    41    48    55    56    57    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    44    58    63    64    38    41    46    53    48    49    55    56    57    42    43    50  
   35    36  
   36  
    0  
   39    40    44    45    52    58    59    63    64    38    41    48    55    56    57    42  
   41    46    47    53    48    49    55    56    57    42    43    50    51    39    63  
   40    44    45    52    58    63    64    60    55  
   44    45    52    63  
   46    47    53    54    48    49    55    56    57    61    42    43    50  
   43    50    51    46    48    55  
   50    51  
   45    52    58    59    63    60    65    79  
   52    58    60  
   47    53    54    48    49    55    61    62    67    71  
   53    54    48    61  
   49    55    56    57    61    62    67    71    53    54  
   55    56    57    61    53    54  
   51  
    0  
   58    59    63    64    60    65    66    73    77    79    80  
   54    55    56    57    61    62    67    68    69    70    71    72  
   55    61    62    67    71  
   56    57    61    63  
   57  
    0  
   59    63    64    60    65    79  
   63    64    60  
   65    66    73    74    75    77    78    79    80    63  
   62    67    68    69    70    71    72  
   67    68    69    70    71    72  
   64  
    0  
   66    73    74    75    76    77    79    80  
   73    74    75    79  
   68    69    70    71    72  
   69    70    71  
   70    71  
   71  
   72  
    0  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    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   0.282500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   317.000  1.510
   33    55   268.000  1.529
   37    39   469.000  1.400
   37    63   469.000  1.400
   39    40   367.000  1.080
   39    44   469.000  1.400
   44    45   367.000  1.080
   44    52   469.000  1.400
   52    58   469.000  1.400
   52    60   375.000  1.464
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   60    65   469.000  1.400
   60    79   469.000  1.400
   65    66   367.000  1.080
   65    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   38    41   400.000  1.384
   38    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    53   250.000  1.540
   53    54   340.000  1.090
   53    48   268.000  1.529
   53    61   260.000  1.519
   48    49   340.000  1.090
   48    55   260.000  1.519
   55    56   340.000  1.090
   55    57   340.000  1.090
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   42    43   745.000  1.250
   42    50   510.000  1.338
   50    51   553.000  0.945
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    37    39    70.00000  120.00000
   33    37    63    70.00000  120.00000
   33    38    41    70.00000  113.82800
   33    38    42    70.00000  124.00000
   33    55    48    70.00000  112.98000
   33    55    56    37.50000  110.70000
   33    55    57    37.50000  110.70000
   37    39    40    35.00000  120.00000
   37    39    44    63.00000  120.00000
   37    63    58    63.00000  120.00000
   37    63    64    35.00000  120.00000
   39    44    45    35.00000  120.00000
   39    44    52    63.00000  120.00000
   44    39    40    35.00000  120.00000
   44    52    58    63.00000  120.00000
   44    52    60    60.00000  122.76000
   52    44    45    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    63    63.00000  120.00000
   52    60    65    60.00000  122.76000
   52    60    79    60.00000  122.76000
   58    63    64    35.00000  120.00000
   63    37    39    63.00000  120.00000
   63    58    59    35.00000  120.00000
   60    52    58    60.00000  122.76000
   60    65    66    35.00000  120.00000
   60    65    73    63.00000  120.00000
   60    79    77    63.00000  120.00000
   60    79    80    35.00000  120.00000
   65    73    74    35.00000  120.00000
   65    73    75    63.00000  120.00000
   73    65    66    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    60    65    63.00000  120.00000
   79    77    78    35.00000  120.00000
   38    33    37    70.00000  112.99600
   38    41    46    50.00000  132.10000
   38    41    48    50.00000  132.70000
   38    42    43    65.00000  137.10300
   38    42    50    80.00000  121.38400
   41    46    47    75.00000  131.60000
   41    46    53    95.00000   92.72400
   41    48    53   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    55    80.00000  110.05700
   46    53    54    40.00000  113.37500
   46    53    48   100.00000   86.36000
   46    53    61    63.00000  111.10000
   53    46    47    60.00000  136.58000
   53    48    49    37.50000  110.70000
   53    48    55    65.00000  119.52000
   53    61    62    45.00000  111.22300
   53    61    67    70.00000  112.98000
   53    61    71    50.00000  109.50000
   48    41    46   100.00000   93.00000
   48    53    54    37.50000  110.70000
   48    55    56    45.00000  111.22300
   48    55    57    45.00000  111.22300
   55    33    37    70.00000  112.17500
   55    33    38    70.00000  112.02700
   55    48    49    45.00000  112.72800
   57    55    56    33.00000  107.80000
   61    53    54    45.00000  112.72800
   61    53    48    65.00000  119.52000
   61    67    68    37.50000  110.70000
   61    67    69    37.50000  110.70000
   61    67    70    37.50000  110.70000
   61    71    72    55.00000  108.50000
   67    61    62    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    61    62    35.00000  109.50000
   71    61    67    50.00000  109.50000
   42    38    41    75.00000  120.83300
   42    50    51    70.00000  107.45700
   50    42    43   115.00000  116.36000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    63  -0.16000  1.0 1.0
   29    33    37    63  -0.03200 -1.0 2.0
   29    33    37    63   0.04500  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    55    48   0.44750  1.0 1.0
   29    33    55    48  -0.17800 -1.0 2.0
   29    33    55    48   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    57   0.15000  1.0 3.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    44   3.62500 -1.0 2.0
   33    37    63    58   3.62500 -1.0 2.0
   33    37    63    64   3.62500 -1.0 2.0
   33    38    41    46   0.00000  1.0 1.0
   33    38   -41    48   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    50   7.00000 -1.0 2.0
   37    33    38    41  -0.22650  1.0 1.0
   37    33    38    41   0.16900 -1.0 2.0
   37    33    38    41   1.14250  1.0 3.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    55    48  -0.03700  1.0 1.0
   37    33    55    48   0.37200 -1.0 2.0
   37    33    55    48  -0.47300  1.0 3.0
   37    33    55    56   0.43200  1.0 3.0
   37    33    55    57   0.43200  1.0 3.0
   37    39    44    45   3.62500 -1.0 2.0
   37    39    44    52   3.62500 -1.0 2.0
   39    37    63    58   3.62500 -1.0 2.0
   39    37    63    64   3.62500 -1.0 2.0
   39    44   -52    58   3.62500 -1.0 2.0
   39    44    52    60   3.62500 -1.0 2.0
   40    39    44    45   3.62500 -1.0 2.0
   40    39    44    52   3.62500 -1.0 2.0
   44    52    58    59   3.62500 -1.0 2.0
   44    52    58    63   3.62500 -1.0 2.0
   44    52    60    65  -0.19450  1.0 1.0
   44    52    60    65   0.63300 -1.0 2.0
   44    52    60    65   0.07450  1.0 3.0
   44    52    60    79  -0.19450  1.0 1.0
   44    52    60    79   0.63300 -1.0 2.0
   44    52    60    79   0.07450  1.0 3.0
   45    44    52    58   3.62500 -1.0 2.0
   45    44    52    60   3.62500 -1.0 2.0
   52    58   -63    37   3.62500 -1.0 2.0
   52    58    63    64   3.62500 -1.0 2.0
   52    60    65    66   3.62500 -1.0 2.0
   52    60    65    73   3.62500 -1.0 2.0
   52    60    79    77   3.62500 -1.0 2.0
   52    60    79    80   3.62500 -1.0 2.0
   58    52    60    65  -0.19450  1.0 1.0
   58    52    60    65   0.63300 -1.0 2.0
   58    52    60    65   0.07450  1.0 3.0
   58    52    60    79  -0.19450  1.0 1.0
   58    52    60    79   0.63300 -1.0 2.0
   58    52    60    79   0.07450  1.0 3.0
   59    58    63    37   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   63    37    39    40   3.62500 -1.0 2.0
   63    37   -39    44   3.62500 -1.0 2.0
   60    52    58    59   3.62500 -1.0 2.0
   60    52    58    63   3.62500 -1.0 2.0
   60    65    73    74   3.62500 -1.0 2.0
   60    65    73    75   3.62500 -1.0 2.0
   65    60    79    77   3.62500 -1.0 2.0
   65    60    79    80   3.62500 -1.0 2.0
   65    73    75    76   3.62500 -1.0 2.0
   65    73   -75    77   3.62500 -1.0 2.0
   66    65    73    74   3.62500 -1.0 2.0
   66    65    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    60   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    60   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    60    65    66   3.62500 -1.0 2.0
   79    60   -65    73   3.62500 -1.0 2.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33    37    63   0.18050 -1.0 2.0
   38    33   -55    48   0.34400  1.0 1.0
   38    33   -55    48   0.09450 -1.0 2.0
   38    33   -55    48   0.11100  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    57   0.15000  1.0 3.0
   38    41    46    47   3.00000 -1.0 2.0
   38    41    46    53   3.00000 -1.0 2.0
   38    41   -48    53   0.00000  1.0 1.0
   38    41    48    49   0.00000  1.0 1.0
   38    41   -48    55   0.00000  1.0 1.0
   38    42    50    51  -0.66100  1.0 1.0
   38    42    50    51   1.20850 -1.0 2.0
   38    42    50    51  -0.36000  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    50   7.00000 -1.0 2.0
   41    46    53    54   0.00000  1.0 1.0
   41    46   -53    48   3.00000 -1.0 2.0
   41    46    53    61   1.39750  1.0 1.0
   41    46    53    61  -0.07950 -1.0 2.0
   41    46    53    61  -0.18750  1.0 3.0
   41    48   -55    33   0.43900  1.0 1.0
   41    48   -55    33   0.49100 -1.0 2.0
   41    48   -55    33   0.28400  1.0 3.0
   41    48    55    56   0.15000  1.0 3.0
   41    48    55    57   0.15000  1.0 3.0
   46    41   -48    53   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    55   0.00000  1.0 1.0
   46    53   -48    41   3.00000 -1.0 2.0
   46    53   -48    49   0.15000  1.0 3.0
   46    53   -48    55  -0.95700  1.0 1.0
   46    53   -48    55  -0.18200 -1.0 2.0
   46    53   -48    55   0.29450  1.0 3.0
   46    53    61    62  -0.11250  1.0 3.0
   46    53    61    67  -0.95700  1.0 1.0
   46    53    61    67  -0.18200 -1.0 2.0
   46    53    61    67   0.29450  1.0 3.0
   46    53    61    71  -0.09450  1.0 1.0
   46    53    61    71  -1.12950 -1.0 2.0
   46    53    61    71   0.54000  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    48  -0.11250  1.0 1.0
   47    46    53    48   0.11400 -1.0 2.0
   47    46    53    48  -0.28950  1.0 3.0
   47    46    53    61   0.30150 -1.0 2.0
   53    48    55    33   0.04050  1.0 1.0
   53    48    55    33   0.63700 -1.0 2.0
   53    48    55    33   0.17650  1.0 3.0
   53    48    55    56   0.00000  1.0 1.0
   53    48    55    57   0.00000  1.0 1.0
   53    61    67    68   0.15000  1.0 3.0
   53    61    67    69   0.15000  1.0 3.0
   53    61    67    70   0.15000  1.0 3.0
   53    61    71    72  -0.11600  1.0 1.0
   53    61    71    72  -0.09450 -1.0 2.0
   53    61    71    72   0.21250  1.0 3.0
   54    53   -48    41   0.15000  1.0 3.0
   54    53    48    49   0.15000  1.0 3.0
   54    53    48    55   0.15000  1.0 3.0
   54    53    61    62   0.15000  1.0 3.0
   54    53    61    67   0.15000  1.0 3.0
   54    53    61    71   0.23400  1.0 3.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    53   3.00000 -1.0 2.0
   48    53    61    62   0.00000  1.0 1.0
   48    53    61    67   0.04050  1.0 1.0
   48    53    61    67   0.63700 -1.0 2.0
   48    53    61    67   0.17650  1.0 3.0
   48    53    61    71   0.86500  1.0 1.0
   48    53    61    71  -0.17500 -1.0 2.0
   48    53    61    71   0.20800  1.0 3.0
   49    48    55    33   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57   0.15000  1.0 3.0
   55    33    37    39   0.04150 -1.0 2.0
   55    33    37    63   0.04150 -1.0 2.0
   55    33   -38    41  -0.93550  1.0 1.0
   55    33   -38    41   0.38900 -1.0 2.0
   55    33   -38    41   0.16950  1.0 3.0
   55    33    38    42   0.09850  1.0 1.0
   55    33    38    42   0.15250 -1.0 2.0
   55    33    38    42  -0.50650  1.0 3.0
   61    53   -48    41   0.43900  1.0 1.0
   61    53   -48    41   0.49100 -1.0 2.0
   61    53   -48    41   0.28400  1.0 3.0
   61    53    48    49   0.15000  1.0 3.0
   61    53    48    55   0.56750  1.0 1.0
   61    53    48    55  -0.07550 -1.0 2.0
   61    53    48    55   0.20000  1.0 3.0
   62    61    67    68   0.15000  1.0 3.0
   62    61    67    69   0.15000  1.0 3.0
   62    61    67    70   0.15000  1.0 3.0
   62    61    71    72   0.19450  1.0 3.0
   67    61    71    72  -0.11600  1.0 1.0
   67    61    71    72  -0.09450 -1.0 2.0
   67    61    71    72   0.21250  1.0 3.0
   71    61    67    68   0.23400  1.0 3.0
   71    61    67    69   0.23400  1.0 3.0
   71    61    67    70   0.23400  1.0 3.0
   42    38    41    46   0.00000  1.0 1.0
   42    38    41    48   0.00000  1.0 1.0
   43    42    50    51   2.00000 -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
   36    30    34    35  10.50000 -1.0 2.0
   39    63    37    33   4.00000 -1.0 2.0
   44    40    39    37   1.10000 -1.0 2.0
   52    45    44    39   1.10000 -1.0 2.0
   58    60    52    44   4.00000 -1.0 2.0
   63    59    58    52   1.10000 -1.0 2.0
   58    64    63    37   1.10000 -1.0 2.0
   65    79    60    52   4.00000 -1.0 2.0
   73    66    65    60   1.10000 -1.0 2.0
   75    74    73    65   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    60   1.10000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   48    46    41    38   1.00000 -1.0 2.0
   41    53    46    47  10.50000 -1.0 2.0
   43    50    42    38   1.10000 -1.0 2.0
END
