* LIGAND DATABASE FILE (OPLS2005)
*
001      79    79    141    207     410
    1     0 S   NP   _N1_     1    29.14682    94.93993   -18.82956
    2     1 S   H    _HN1     2     1.02769    80.86210   -52.04848
    3     1 S   H    _H1_     3     1.02989   101.75965    54.89387
    4     1 S   H    _H2_     4     1.02814    31.49082   158.34739
    5     1 S   CT   _CA1     5     1.50238   138.20447  -165.39251
    6     5 S   HC   _HA1     6     1.09605   105.06677    39.75621
    7     5 S   CO3  _C1_     7     1.53657   112.44920   -79.69398
    8     7 S   O2Z  _O11     8     1.26322   115.03458   -40.48025
    9     7 S   O2Z  _O12     9     1.26268   114.89091   138.19443
   10     5 S   CT   _CB1    10     1.53061   107.18130   157.00271
   11    10 S   HC   HB11    11     1.09778   108.45160   -54.70081
   12    10 S   HC   HB12    12     1.09784   110.54671    61.19426
   13    10 S   CT   _CG1    13     1.53070   113.19919  -176.53943
   14    13 S   HC   HG11    14     1.09537   109.96402   -72.05862
   15    13 S   HC   HG12    15     1.09648   110.36534    46.72118
   16    13 S   C    _CD1    16     1.51970   112.08462   165.68348
   17    16 S   O    _OE1    17     1.22825   122.73610   -26.63243
   18    16 S   N    _N2_    18     1.38584   112.45906   156.10560
   19    18 S   H    _HN2    19     1.01591   119.11201    -2.78881
   20    18 S   CT1  _CA2    20     1.46308   123.05706   175.40040
   21    20 S   HC   _HA2    21     1.09731   109.17621   -16.00390
   22    20 S   C    _C2_    22     1.53522   108.02399  -131.44559
   23    22 S   O    _O2_    23     1.23029   122.26184  -146.82351
   24    20 S   CT   _CB2    32     1.53407   112.45902   106.41331
   25    24 S   HC   HB21    33     1.09543   109.82371    59.21329
   26    24 S   HC   HB22    34     1.09551   110.21093   176.67810
   27    22 S   N    _N3_    24     1.38495   113.47516    40.24640
   28    27 S   H    _HN3    25     1.01526   118.94026    -0.17359
   29    24 S   S    _SG2    35     1.82944   112.58624   -64.35369
   30    27 S   CT   _CA3    26     1.45418   123.30375   175.73442
   31    30 S   HC   HA31    27     1.09538   109.01648    28.16270
   32    30 S   HC   HA32    28     1.09490   107.16028   145.10729
   33    29 S   CT   _C9_    36     1.83488    99.50904   127.18363
   34    33 S   HC   _H3_    37     1.09201   107.59892   -38.71307
   35    30 S   CO3  _C3_    29     1.52933   113.29315   -95.18482
   36    35 S   O2Z  _O31    30     1.26391   115.49725   -42.46092
   37    35 S   O2Z  _O32    31     1.26370   114.92264   138.47822
   38    33 S   CM   _C10    38     1.51063   108.17101  -157.99801
   39    38 S   HC   _H15    39     1.09152   115.01055   -79.21411
   40    33 S   CT   _C8_    64     1.53989   109.99290    78.93800
   41    40 S   HC   _H13    65     1.09765   109.86630   -52.66941
   42    40 S   HC   _H14    66     1.09829   110.45422    64.85034
   43    38 S   CMA  _C11    40     1.35435   127.74789   103.31790
   44    43 S   OM   _O35    41     1.26237   128.94417   177.37714
   45    40 S   CT   _C7_    67     1.53473   112.35874  -173.00897
   46    45 S   HC   _H11    68     1.09681   109.42641    56.82818
   47    45 S   HC   _H12    69     1.09612   110.16337   -60.84886
   48    43 S   CT   _C12    42     1.52918   119.68748    -5.15427
   49    48 S   HC   _H16    43     1.10133   111.48387  -149.07928
   50    48 S   HC   _H17    44     1.09801   109.15882   -35.64024
   51    45 S   CT   _C6_    70     1.53004   111.26296   177.87763
   52    51 S   HC   _H9_    71     1.09682   109.60160   -58.49965
   53    51 S   HC   _H10    72     1.09681   109.56455    58.80477
   54    48 S   CT   _C13    45     1.53684   113.20366    87.41255
   55    54 S   HC   _H18    46     1.09753   110.18863    73.67714
   56    54 S   HC   _H19    47     1.09693   111.28774   -43.19992
   57    51 S   CT   _C5_    73     1.52847   111.28920  -179.83214
   58    57 S   HC   _H7_    74     1.09622   109.86845   -58.89529
   59    57 S   HC   _H8_    75     1.09624   109.86187    58.82761
   60    54 S   CA   _C14    48     1.50997   110.92816  -164.52417
   61    57 S   CT   _C4_    76     1.52031   111.49222   179.96574
   62    61 S   HC   _H4_    77     1.09469   111.00094   -60.26183
   63    61 S   HC   _H5_    78     1.09449   110.26117   180.00000
   64    61 S   HC   _H6_    79     1.09468   111.00043    60.25775
   65    60 S   CA   _C15    49     1.39844   120.40111   -89.87415
   66    65 S   HA   _H20    50     1.08728   120.40644    -1.54965
   67    65 S   CA   _C16    51     1.39310   120.26168   177.35299
   68    67 S   HA   _H21    52     1.08623   119.26195  -179.29418
   69    67 S   CA   _C17    53     1.39513   119.73596    -0.33804
   70    69 S   CA   _C18    54     1.39933   121.14178     0.43251
   71    69 S   OH   _O34    62     1.37047   119.74660  -179.25981
   72    71 S   HO   _H26    63     0.97228   108.55863     3.05230
   73    60 S   CA   _C19    55     1.40645   120.13977    87.44227
   74    73 S   HA   _H22    56     1.08595   118.10011     2.19196
   75    70 S   OS   _O33    57     1.37046   116.16622  -179.71745
   76    75 S   CT   _C20    58     1.42222   117.18843  -179.51705
   77    76 S   HC   _H23    59     1.09424   107.77865   179.93744
   78    76 S   HC   _H24    60     1.09494   111.14039    62.10157
   79    76 S   HC   _H25    61     1.09405   111.15138   -62.35634
  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
  13   7   2   1   1  11   4  10   5   4   8   4   9   5   4   8
   5   4   9   5   4   9   4   3   6   5   4   9   3   2   1   1
   8   4   7   3   7   9   3   1   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    51  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    50    54    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    51    52    53    57    43  
   42    45    46    47    51  
   45    46    47    51  
   44    48    49    50    54    55    56    60  
   48    49    50    54  
   46    47    51    52    53    57    58    59    61  
   47    51    52    53    57  
   51    52    53    57  
   49    50    54    55    56    60    65    73  
   50    54    55    56    60  
   54    55    56    60  
   52    53    57    58    59    61    62    63    64  
   53    57    58    59    61  
   57    58    59    61  
   55    56    60    65    66    67    70    73    74  
   56    60    65    73  
   60    65    73  
   58    59    61    62    63    64  
   59    61    62    63    64  
   61    62    63    64  
   65    66    67    68    69    70    73    74    75  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    70    73    74    71  
   67    68    69    73  
   68    69    70    73    75    71    72  
   69    70    71  
   70    73    74    75    76    71    72  
   73    74    75    76    77    78    79    71    72  
   72    73    75  
    0  
   74    75    76  
   75  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   465.000  1.376
   43    44   745.000  1.250
   43    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   317.000  1.510
   60    65   469.000  1.400
   60    73   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    75   450.000  1.364
   73    74   367.000  1.080
   75    76   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   71    72   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    65.00000  122.18000
   43    38    39    40.00000  120.50800
   43    48    49    45.00000  110.52000
   43    48    50    45.00000  110.52000
   43    48    54    70.00000  112.02700
   48    43    44    85.00000  112.85300
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    60    70.00000  112.17500
   50    48    49    33.00000  107.80000
   54    48    49    37.50000  110.70000
   54    48    50    37.50000  110.70000
   54    60    65    70.00000  120.00000
   54    60    73    70.00000  120.00000
   56    54    55    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    35.00000  109.50000
   60    65    66    35.00000  120.00000
   60    65    67    63.00000  120.00000
   60    73    70    63.00000  120.00000
   60    73    74    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    69    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    69    70    63.00000  120.00000
   67    69    71    70.00000  120.00000
   69    67    68    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    75    70.00000  120.00000
   69    71    72    35.00000  113.00000
   70    73    74    35.00000  120.00000
   70    75    76    75.00000  111.00000
   73    60    65    63.00000  120.00000
   75    70    73    70.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   71    69    70    70.00000  120.00000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   51    45    46    37.50000  110.70000
   51    45    47    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   57    51    52    37.50000  110.70000
   57    51    53    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    51   0.56750  1.0 1.0
   33    40    45    51  -0.07550 -1.0 2.0
   33    40    45    51   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   0.00000  1.0 1.0
   38    43    48    50   0.00000  1.0 1.0
   38    43    48    54   0.09850  1.0 1.0
   38    43    48    54   0.15250 -1.0 2.0
   38    43    48    54  -0.50650  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    54    55   0.15000  1.0 3.0
   43    48    54    56   0.15000  1.0 3.0
   43    48    54    60   0.21200  1.0 1.0
   43    48    54    60   0.16900 -1.0 2.0
   43    48    54    60  -1.15100  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    54   0.09700  1.0 1.0
   44    43    48    54   0.15600 -1.0 2.0
   44    43    48    54  -0.50800  1.0 3.0
   48    54    60    65   0.04150 -1.0 2.0
   48    54    60    73   0.04150 -1.0 2.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    60   0.43200  1.0 3.0
   50    48    54    55   0.15000  1.0 3.0
   50    48    54    56   0.15000  1.0 3.0
   50    48    54    60   0.43200  1.0 3.0
   54    60    65    66   3.62500 -1.0 2.0
   54    60    65    67   3.62500 -1.0 2.0
   54    60    73    70   3.62500 -1.0 2.0
   54    60    73    74   3.62500 -1.0 2.0
   55    54    60    65   0.00000  1.0 1.0
   55    54    60    73   0.00000  1.0 1.0
   56    54    60    65   0.00000  1.0 1.0
   56    54    60    73   0.00000  1.0 1.0
   60    65    67    68   3.62500 -1.0 2.0
   60    65    67    69   3.62500 -1.0 2.0
   65    60    73    70   3.62500 -1.0 2.0
   65    60    73    74   3.62500 -1.0 2.0
   65    67   -69    70   3.62500 -1.0 2.0
   65    67    69    71   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   66    65    67    69   3.62500 -1.0 2.0
   67    69    70    73   3.62500 -1.0 2.0
   67    69    70    75   3.62500 -1.0 2.0
   67    69    71    72   0.84100 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    70   -73    60   3.62500 -1.0 2.0
   69    70    73    74   3.62500 -1.0 2.0
   69    70    75    76   1.63200 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    75    76    77   0.08050  1.0 3.0
   70    75    76    78   0.08050  1.0 3.0
   70    75    76    79   0.08050  1.0 3.0
   73    60    65    66   3.62500 -1.0 2.0
   73    60   -65    67   3.62500 -1.0 2.0
   73    70    75    76   1.63200 -1.0 2.0
   75    70    73    60   3.62500 -1.0 2.0
   75    70    73    74   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    75   3.62500 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    51    52   0.15000  1.0 3.0
   40    45    51    53   0.15000  1.0 3.0
   40    45    51    57   0.56750  1.0 1.0
   40    45    51    57  -0.07550 -1.0 2.0
   40    45    51    57   0.20000  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    51   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    51   0.15000  1.0 3.0
   45    51    57    58   0.15000  1.0 3.0
   45    51    57    59   0.15000  1.0 3.0
   45    51    57    61   0.56750  1.0 1.0
   45    51    57    61  -0.07550 -1.0 2.0
   45    51    57    61   0.20000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    53   0.15000  1.0 3.0
   46    45    51    57   0.15000  1.0 3.0
   47    45    51    52   0.15000  1.0 3.0
   47    45    51    53   0.15000  1.0 3.0
   47    45    51    57   0.15000  1.0 3.0
   51    57    61    62   0.15000  1.0 3.0
   51    57    61    63   0.15000  1.0 3.0
   51    57    61    64   0.15000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    61   0.15000  1.0 3.0
   53    51    57    58   0.15000  1.0 3.0
   53    51    57    59   0.15000  1.0 3.0
   53    51    57    61   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    64   0.15000  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   65    73    60    54   4.00000 -1.0 2.0
   67    66    65    60   1.10000 -1.0 2.0
   69    68    67    65   1.10000 -1.0 2.0
   70    71    69    67   4.00000 -1.0 2.0
   73    75    70    69   4.00000 -1.0 2.0
   70    74    73    60   1.10000 -1.0 2.0
END
