* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    142    207     406
    1     0 S   NP   _N1_     1    29.64457    90.40624   -22.74565
    2     1 S   H    _HN1     2     1.02970   112.67881    26.51191
    3     1 S   H    _H1_     3     1.02830    10.85531    87.42209
    4     1 S   H    _H2_     4     1.02782    97.10296   -86.69604
    5     1 S   CT   _CA1     5     1.50136   115.38957   154.58819
    6     5 S   HC   _HA1     6     1.09573   105.29973    48.73182
    7     5 S   CO3  _C1_     7     1.53818   112.24332   -71.52907
    8     7 S   O2Z  _O11     8     1.26355   115.05535   -46.81543
    9     7 S   O2Z  _O12     9     1.26241   114.89970   132.35067
   10     5 S   CT   _CB1    10     1.53037   107.32504   166.56712
   11    10 S   HC   HB11    11     1.09819   109.33218   -51.19403
   12    10 S   HC   HB12    12     1.09852   110.34293    65.21018
   13    10 S   CT   _CG1    13     1.53093   112.84324  -172.48689
   14    13 S   HC   HG11    14     1.09561   110.19222   -59.05269
   15    13 S   HC   HG12    15     1.09583   110.45926    60.24307
   16    13 S   C    _CD1    16     1.51726   111.39824  -179.87805
   17    16 S   O    _OE1    17     1.22779   122.84838   -24.08481
   18    16 S   N    _N2_    18     1.38582   112.25697   156.57820
   19    18 S   H    _HN2    19     1.01564   119.41303     3.65409
   20    18 S   CT1  _CA2    20     1.46064   122.82771  -173.85570
   21    20 S   HC   _HA2    21     1.09572   109.15633    -9.78255
   22    20 S   C    _C2_    22     1.53329   109.15281  -125.26816
   23    22 S   O    _O2_    23     1.23033   122.08403  -147.98673
   24    20 S   CT   _CB2    32     1.53616   111.61097   111.98137
   25    24 S   HC   HB21    33     1.09671   109.35170    68.07726
   26    24 S   HC   HB22    34     1.09547   110.86170  -174.97141
   27    22 S   N    _N3_    24     1.38468   113.49544    39.55076
   28    27 S   H    _HN3    25     1.01523   118.92007    -0.66558
   29    24 S   S    _SG2    35     1.83029   114.79411   -50.87271
   30    27 S   CT   _CA3    26     1.45430   123.33877   174.86744
   31    30 S   HC   HA31    27     1.09531   109.12445    27.00511
   32    30 S   HC   HA32    28     1.09492   107.17249   143.99450
   33    29 S   CT   _C16    36     1.81992   100.78572   -69.26682
   34    33 S   HC   _H3_    37     1.09422   111.49370    37.73429
   35    30 S   CO3  _C3_    29     1.52925   113.10581   -96.37742
   36    35 S   O2Z  _O31    30     1.26400   115.39404   -45.38223
   37    35 S   O2Z  _O32    31     1.26351   114.99381   135.52606
   38    33 S   CM   _C10    38     1.48877   110.93922   -83.73167
   39    38 S   HC   _H28    39     1.09185   114.15689    83.57304
   40    38 S   CMA  _C11    40     1.35299   128.09442   -99.21961
   41    40 S   OM   _O20    41     1.26647   124.54005  -176.97101
   42    40 S   CA   _C5_    42     1.52260   114.20541     3.88373
   43    42 S   CA   _C6_    43     1.41205   121.51998   -15.87859
   44    43 S   CA   _C9_    44     1.41499   121.69358  -179.67135
   45    33 S   CO4  _C12    79     1.50761   108.35986   154.63174
   46    45 S   O    _O21    80     1.22809   121.44224   -91.88367
   47    44 S   CA   _C7_    45     1.40369   120.97668     3.00557
   48    44 S   OS   _O24    74     1.37505   120.58927  -179.60534
   49    47 S   CA   _C4_    46     1.39811   117.77110    -3.11552
   50    49 S   HA   _H27    47     1.08845   119.98472  -179.00279
   51    47 S   CT   _C22    51     1.51974   122.28179   176.07090
   52    51 S   HC   _H45    52     1.09577   110.06629    10.07369
   53    48 S   CT   _C20    75     1.43038   110.54299    88.57329
   54    53 S   HC   _H40    76     1.09381   107.61401   174.51123
   55    53 S   HC   _H41    77     1.09555   111.61361    56.16435
   56    53 S   HC   _H42    78     1.09436   111.31348   -67.29502
   57    42 S   CA   _C8_    48     1.41425   122.50506   165.44293
   58    51 S   CT   _C21    53     1.54093   112.80776  -112.17762
   59    58 S   HC   _H43    54     1.09798   110.50732   -57.62747
   60    58 S   HC   _H44    55     1.09606   109.92869  -171.52894
   61    51 S   OS   _O25    67     1.44882   107.25844   127.61301
   62    57 S   OH   _O23    49     1.37415   123.19798    -2.07009
   63    62 S   HO   _H46    50     0.97555   107.43471     3.13132
   64    58 S   CM   _C13    56     1.50406   113.06868    64.24546
   65    64 S   HC   _H29    57     1.08935   114.52245   -87.13834
   66    61 S   CO4  _C15    68     1.36225   117.55441  -153.25905
   67    66 S   O    _O22    69     1.22305   126.47757    -0.56441
   68    64 S   CM   _C14    58     1.34633   127.16195    93.35004
   69    66 S   CT   _C19    70     1.49836   109.46599   179.57525
   70    69 S   HC   _H37    71     1.09292   109.83238   -60.61257
   71    69 S   HC   _H38    72     1.09379   109.36458  -179.63309
   72    69 S   HC   _H39    73     1.09289   109.82356    61.29918
   73    68 S   CT   _C17    59     1.50490   120.58247   179.13725
   74    73 S   HC   _H31    60     1.09495   110.27347   119.17358
   75    73 S   HC   _H32    61     1.09493   110.21679  -120.99826
   76    73 S   HC   _H33    62     1.09512   112.38617    -0.93041
   77    68 S   CT   _C18    63     1.50259   124.82118    -1.81035
   78    77 S   HC   _H34    64     1.09482   110.10838   115.89737
   79    77 S   HC   _H35    65     1.09244   113.38613    -5.01704
   80    77 S   HC   _H36    66     1.09532   110.05746  -124.72549
  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   8   5   4   3
  10   6   2   1   1   8   4   8   3  11  10  15   4   1  14   6
   8   3  12   6   3   2   1   1   2   9   5   4   7   1   1  10
   3   5   4   8   3   2   1   1   7   3   2   1   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    45    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46  
   38    39    40    43    45    46  
   36    37  
   37  
    0  
   39    40    41    42    43    57    45    46  
   40    41    42    45  
   41    42    43    44    49    57    62    45  
   42    43    57  
   43    44    47    49    50    57    62    63    48    45    46  
   44    47    49    57    62    51    48    53    45    46  
   47    49    50    57    51    52    58    61    48    53    54    55    56    45    46  
   46    47    48    57  
    0  
   49    50    57    62    51    52    58    59    60    64    61    66    48    53  
   53    54    55    56    49    51  
   50    57    62    63    51    52    58    61  
   57    62    51  
   52    58    59    60    64    65    68    61    66    67    69    57  
   58    59    60    64    61    66  
   54    55    56  
   55    56  
   56  
    0  
   62    63  
   59    60    64    65    68    73    77    61    66  
   60    64    65    68    61  
   64    65    68    61  
   66    67    69    70    71    72    64  
   63  
    0  
   65    68    73    74    75    76    77    78    79    80  
   68    73    77  
   67    69    70    71    72  
   69    70    71    72  
   73    74    75    76    77    78    79    80  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   48   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   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    45   317.000  1.522
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   469.000  1.400
   42    57   469.000  1.400
   43    44   469.000  1.400
   43    45   310.000  1.470
   44    47   469.000  1.400
   44    48   450.000  1.364
   47    49   469.000  1.400
   47    51   317.000  1.510
   49    50   367.000  1.080
   49    57   469.000  1.400
   57    62   450.000  1.364
   62    63   553.000  0.945
   51    52   340.000  1.090
   51    58   268.000  1.529
   51    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.510
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    73   317.000  1.510
   68    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   61    66   214.000  1.327
   66    67   570.000  1.229
   66    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   48    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
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    45    75.00000  110.18000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    65.00000  115.47100
   33    45    46    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    57    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    63.00000  120.00000
   42    43    45    60.00000  119.52600
   42    57    49    63.00000  120.00000
   42    57    62    70.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    48    70.00000  120.00000
   43    45    46    75.00000  123.78400
   44    47    49    63.00000  120.00000
   44    47    51    70.00000  120.00000
   44    48    53    75.00000  111.00000
   47    49    50    35.00000  120.00000
   47    49    57    63.00000  120.00000
   47    51    52    35.00000  109.50000
   47    51    58    70.00000  112.17500
   47    51    61    85.00000  111.85700
   49    57    62    70.00000  120.00000
   57    42    43    63.00000  120.00000
   57    49    50    35.00000  120.00000
   57    62    63    35.00000  113.00000
   51    47    49    70.00000  120.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    64    70.00000  112.02700
   51    61    66    83.00000  116.90000
   58    51    52    37.50000  110.70000
   58    64    65    35.00000  117.00000
   58    64    68    70.00000  124.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    73    70.00000  124.00000
   64    68    77    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    73    74    35.00000  109.50000
   68    73    75    35.00000  109.50000
   68    73    76    35.00000  109.50000
   68    77    78    35.00000  109.50000
   68    77    79    35.00000  109.50000
   68    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   61    51    52    35.00000  109.50000
   61    51    58    50.00000  109.50000
   61    66    67    83.00000  123.40000
   61    66    69    81.00000  111.40000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   69    66    67    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   48    44    47    70.00000  120.00000
   48    53    54    35.00000  109.50000
   48    53    55    35.00000  109.50000
   48    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    33    34    35.00000  109.50000
   45    33    38    70.00000  109.06800
   45    43    44    60.00000  119.52600
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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    45    43   0.65300  1.0 1.0
   29    33    45    43  -0.03850 -1.0 2.0
   29    33    45    43   0.33900  1.0 3.0
   29    33    45    46   0.30150 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    45    43   0.00000  1.0 1.0
   34    33    45    46   0.00000  1.0 1.0
   38    33    45    43   0.65300  1.0 1.0
   38    33    45    43  -0.03850 -1.0 2.0
   38    33    45    43   0.33900  1.0 3.0
   38    33    45    46   0.30150 -1.0 2.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    57   0.15800  1.0 1.0
   38    40    42    57   1.85350 -1.0 2.0
   38    40    42    57  -0.48700  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    57    49   3.62500 -1.0 2.0
   40    42    57    62   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    57  -0.01750  1.0 1.0
   41    40    42    57  -0.32000 -1.0 2.0
   41    40    42    57   0.00600  1.0 3.0
   42    43    44    47   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -45    33   2.26350  1.0 1.0
   42    43   -45    33   0.76750 -1.0 2.0
   42    43   -45    33   0.22500  1.0 3.0
   42    43    45    46   1.05000 -1.0 2.0
   42    57    62    63   0.84100 -1.0 2.0
   43    42    57    49   3.62500 -1.0 2.0
   43    42    57    62   3.62500 -1.0 2.0
   43    44   -47    49   3.62500 -1.0 2.0
   43    44    47    51   3.62500 -1.0 2.0
   43    44    48    53   1.63200 -1.0 2.0
   44    43    45    33   2.26350  1.0 1.0
   44    43    45    33   0.76750 -1.0 2.0
   44    43    45    33   0.22500  1.0 3.0
   44    43    45    46   1.05000 -1.0 2.0
   44    47    49    50   3.62500 -1.0 2.0
   44    47    49    57   3.62500 -1.0 2.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    58   0.04150 -1.0 2.0
   44    47    51    61   0.64500  1.0 1.0
   44    47    51    61   0.14800 -1.0 2.0
   44    47    51    61   0.20650  1.0 3.0
   44    48    53    54   0.08050  1.0 3.0
   44    48    53    55   0.08050  1.0 3.0
   44    48    53    56   0.08050  1.0 3.0
   47    44    48    53   1.63200 -1.0 2.0
   47    49   -57    42   3.62500 -1.0 2.0
   47    49    57    62   3.62500 -1.0 2.0
   47    51    58    59   0.43200  1.0 3.0
   47    51    58    60   0.43200  1.0 3.0
   47    51    58    64   0.21200  1.0 1.0
   47    51    58    64   0.16900 -1.0 2.0
   47    51    58    64  -1.15100  1.0 3.0
   47    51    61    66  -0.43900 -1.0 2.0
   47    51    61    66   0.14100  1.0 3.0
   49    47    51    52   0.00000  1.0 1.0
   49    47    51    58   0.04150 -1.0 2.0
   49    47    51    61   0.64500  1.0 1.0
   49    47    51    61   0.14800 -1.0 2.0
   49    47    51    61   0.20650  1.0 3.0
   49    57    62    63   0.84100 -1.0 2.0
   50    49    57    42   3.62500 -1.0 2.0
   50    49    57    62   3.62500 -1.0 2.0
   57    42   -43    44   3.62500 -1.0 2.0
   57    42    43    45   3.62500 -1.0 2.0
   51    47    49    50   3.62500 -1.0 2.0
   51    47    49    57   3.62500 -1.0 2.0
   51    58    64    65   0.00000  1.0 1.0
   51    58    64    68   0.09850  1.0 1.0
   51    58    64    68   0.15250 -1.0 2.0
   51    58    64    68  -0.50650  1.0 3.0
   51    61    66    67   3.00000 -1.0 2.0
   51    61    66    69   1.63150  1.0 1.0
   51    61    66    69   2.92000 -1.0 2.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    64   0.15000  1.0 3.0
   52    51    61    66   0.08050  1.0 3.0
   58    51    61    66  -0.25900  1.0 1.0
   58    51    61    66  -0.47000 -1.0 2.0
   58    51    61    66   0.11750  1.0 3.0
   58    64    68    73   7.00000 -1.0 2.0
   58    64    68    77   7.00000 -1.0 2.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.33100  1.0 3.0
   60    58    64    68   0.00000  1.0 1.0
   64    68    73    74   0.00000  1.0 1.0
   64    68    73    75   0.00000  1.0 1.0
   64    68    73    76   0.00000  1.0 1.0
   64    68    77    78   0.00000  1.0 1.0
   64    68    77    79   0.00000  1.0 1.0
   64    68    77    80   0.00000  1.0 1.0
   65    64    68    73   7.00000 -1.0 2.0
   65    64    68    77   7.00000 -1.0 2.0
   73    68    77    78   0.34800  1.0 3.0
   73    68    77    79   0.34800  1.0 3.0
   73    68    77    80   0.34800  1.0 3.0
   77    68    73    74   0.34800  1.0 3.0
   77    68    73    75   0.34800  1.0 3.0
   77    68    73    76   0.34800  1.0 3.0
   61    51    58    59   0.23400  1.0 3.0
   61    51    58    60   0.23400  1.0 3.0
   61    51    58    64   0.61850  1.0 1.0
   61    51    58    64  -0.22750 -1.0 2.0
   61    51    58    64   0.15300  1.0 3.0
   61    66    69    70   0.00000  1.0 1.0
   61    66    69    71   0.00000  1.0 1.0
   61    66    69    72   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   48    44    47    49   3.62500 -1.0 2.0
   48    44    47    51   3.62500 -1.0 2.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40  -0.51250  1.0 1.0
   45    33   -38    40  -0.88800 -1.0 2.0
   45    33   -38    40   0.08850  1.0 3.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    48   3.62500 -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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    57    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   47    48    44    43   4.00000 -1.0 2.0
   49    51    47    44   4.00000 -1.0 2.0
   57    50    49    47   1.10000 -1.0 2.0
   49    62    57    42   4.00000 -1.0 2.0
   58    65    64    68  15.00000 -1.0 2.0
   73    77    68    64  15.00000 -1.0 2.0
   61    69    66    67  10.50000 -1.0 2.0
   33    43    45    46  10.50000 -1.0 2.0
END
