* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    142    213     406
    1     0 S   NP   _N1_     1    28.96452    96.39004   -21.14830
    2     1 S   H    _HN1     2     1.02779    85.61059   -79.48119
    3     1 S   H    _H1_     3     1.02957    81.15523    29.86657
    4     1 S   H    _H2_     4     1.02835    42.23406   157.62074
    5     1 S   CT   _CA1     5     1.50123   152.68955   147.72732
    6     5 S   HC   _HA1     6     1.09569   105.23929    66.28256
    7     5 S   CO3  _C1_     7     1.53801   112.41806   -53.99985
    8     7 S   O2Z  _O11     8     1.26367   114.99201   -42.18805
    9     7 S   O2Z  _O12     9     1.26233   114.94178   137.01896
   10     5 S   CT   _CB1    10     1.53086   107.43534  -175.69307
   11    10 S   HC   HB11    11     1.09823   109.42146   -49.64473
   12    10 S   HC   HB12    12     1.09829   110.36189    66.94170
   13    10 S   CT   _CG1    13     1.53019   112.68371  -170.71664
   14    13 S   HC   HG11    14     1.09598   110.42074   -62.78915
   15    13 S   HC   HG12    15     1.09641   110.04495    56.49264
   16    13 S   C    _CD1    16     1.51794   112.24965   176.90851
   17    16 S   O    _OE1    17     1.22724   123.23152    -2.99264
   18    16 S   N    _N2_    18     1.38651   111.66180   176.96481
   19    18 S   H    _HN2    19     1.01573   119.06883     2.08957
   20    18 S   CT1  _CA2    20     1.46260   123.28975  -177.55079
   21    20 S   HC   _HA2    21     1.09738   109.37165    -8.75475
   22    20 S   C    _C2_    22     1.53396   108.54812  -124.53546
   23    22 S   O    _O2_    23     1.23021   122.15867  -146.16290
   24    20 S   CT   _CB2    32     1.53602   111.42265   113.10640
   25    24 S   HC   HB21    33     1.09409   109.31650    58.37516
   26    24 S   HC   HB22    34     1.09458   109.88846   177.15160
   27    22 S   N    _N3_    24     1.38474   113.41223    41.15513
   28    27 S   H    _HN3    25     1.01526   118.90197    -0.82472
   29    24 S   S    _SG2    35     1.82724   111.08276   -63.06503
   30    27 S   CT   _CA3    26     1.45462   123.60865   175.11296
   31    30 S   HC   HA31    27     1.09510   109.43725    20.26935
   32    30 S   HC   HA32    28     1.09500   107.07437   137.31497
   33    29 S   CT   _C17    36     1.86482   102.26519   170.58428
   34    30 S   CO3  _C3_    29     1.52916   112.97144  -103.33809
   35    34 S   O2Z  _O31    30     1.26410   115.35275   -45.21082
   36    34 S   O2Z  _O32    31     1.26345   115.00924   135.66827
   37    33 S   CM   _C13    37     1.58162   107.23935   174.58481
   38    33 S   CT   _C18    75     1.54639   111.25236    50.71529
   39    38 S   HC   _H35    76     1.09749   111.74328   -76.07882
   40    38 S   HC   _H36    77     1.09708   110.51603   166.03191
   41    38 S   HC   _H37    78     1.09339   113.92831    44.39932
   42    37 S   CT   _C16    38     1.57325   118.39513   108.51623
   43    42 S   HC   _H34    39     1.09845   105.93403   131.84108
   44    37 S   CMA  _C14    65     1.37858   123.20622   -73.96306
   45    44 S   OM   _O20    66     1.27014   125.50128  -175.19470
   46    42 S   CA   _C8_    40     1.53706   113.12463  -107.97069
   47    42 S   CM   _C10    55     1.48499   113.18427    18.33911
   48    44 S   OS   _O24    67     1.41348   112.71050     4.15275
   49    46 S   CA   _C6_    41     1.40853   119.89293    61.46951
   50    49 S   HA   _H30    42     1.08526   120.64814     0.52786
   51    47 S   CM   _C11    56     1.32164   124.12734   -14.58103
   52    48 S   CT   _C20    68     1.43211   114.45057   136.86837
   53    52 S   HC   _H41    69     1.09667   110.39369   -50.42132
   54    52 S   HC   _H42    70     1.09586   110.17535    70.97179
   55    49 S   CA   _C4_    43     1.39350   121.28911   179.57433
   56    55 S   HA   _H28    44     1.08609   120.01671   179.80923
   57    51 S   CT   _C15    57     1.47106   111.66270  -178.26743
   58    57 S   HC   _H32    58     1.09384   112.59752   116.47829
   59    57 S   HC   _H33    59     1.09381   112.55316  -118.38079
   60    33 S   NE   _N19    63     1.46770   107.82563   -63.87665
   61    60 S   H    _H44    64     1.01388   117.88312    64.55981
   62    52 S   CT   _C19    71     1.51765   107.89198  -169.85892
   63    62 S   HC   _H38    72     1.09504   110.59645   -58.85059
   64    62 S   HC   _H39    73     1.09494   110.67752    59.40840
   65    62 S   HC   _H40    74     1.09354   110.88701  -179.72446
   66    55 S   CA   _C5_    45     1.38855   119.80504    -0.38410
   67    66 S   HA   _H29    46     1.08625   119.95076   179.72517
   68    57 S   OS   _O22    60     1.43568   103.32548    -1.00600
   69    66 S   CA   _C7_    47     1.39521   120.05647    -0.67666
   70    69 S   HA   _H31    48     1.08559   117.43807   179.94766
   71    47 S   CO4  _C12    61     1.46090   128.88360   166.08840
   72    71 S   O    _O21    62     1.21826   125.99962    -1.56323
   73    46 S   CA   _C9_    49     1.41365   121.64833  -120.90642
   74    73 S   OS   _O23    50     1.37186   116.45525     0.26020
   75    74 S   CTHO _C21    51     1.41689   117.63285  -167.89502
   76    75 S   F    _F25    52     1.35825   107.36109   169.77899
   77    75 S   F    _F26    53     1.35578   109.29587   -75.10660
   78    75 S   HC   _H43    54     1.09547   113.68292    49.70799
  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
  16   2   1   1  18   8   3   2   1  18   7   9   2  13  11   7
   8   4   8   6   5   4   6   3   7   4   3   3   1   3   2   1
   1   5   3   2   4   2   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    60    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    51    60    61    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    47    51    57    60    61    44    45    48    38    39    40    41  
   35    36  
   36  
    0  
   42    43    46    49    73    47    51    71    60    61    44    45    48    52    38    39    40    41  
   39    40    41    42    44    51    60    61  
   40    41    60  
   41    60  
   60  
   43    46    49    50    55    69    73    74    47    51    57    68    71    72    60    44    45    48  
   46    49    73    47    51    71    44  
   45    48    52    53    54    62    46    47    60  
   48    52  
   49    50    55    56    66    69    70    73    74    75    47    51    71  
   51    57    58    59    68    71    72    60    61    49    73  
   52    53    54    62    63    64    65  
   50    55    56    66    67    69    73    74  
   55    56    66    73  
   57    58    59    68    71    72    60    61  
   53    54    62    63    64    65  
   54    62    63    64    65  
   62    63    64    65  
   56    66    67    69    70    73  
   66    67    69  
   58    59    68    71    72    60    61  
   59    68    71    60  
   68    71    60  
   61    68    71  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    69    70    73    74  
   69    70    73  
   71    72  
   70    73    74    75  
   73    74  
   72  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.402800   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   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   3.5500   0.0760  -0.051000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   74   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   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    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    60   382.000  1.448
   33    38   268.000  1.529
   37    42   317.000  1.510
   37    44   465.000  1.376
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    47   317.000  1.510
   46    49   469.000  1.400
   46    73   469.000  1.400
   49    50   367.000  1.080
   49    55   469.000  1.400
   55    56   367.000  1.080
   55    66   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   450.000  1.364
   74    75   470.000  1.351
   75    76   455.000  1.355
   75    77   455.000  1.355
   75    78   375.000  1.089
   47    51   549.000  1.340
   47    71   320.000  1.462
   51    57   317.000  1.510
   51    60   425.000  1.378
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   320.000  1.410
   68    71   214.000  1.327
   71    72   570.000  1.229
   60    61   434.000  1.010
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    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    75.00000  112.20000
   29    33    60    80.00000  108.62000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  117.92700
   33    37    44    70.00000  124.00000
   33    60    51    50.00000  121.00000
   33    60    61    35.00000  112.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    35.00000  109.50000
   37    42    46    70.00000  112.99600
   37    42    47    70.00000  110.12100
   37    44    45    65.00000  137.10300
   37    44    48    80.00000  120.01400
   42    46    49    70.00000  120.00000
   42    46    73    70.00000  120.00000
   42    47    51    70.00000  124.00000
   42    47    71    65.00000  116.34900
   46    42    43    35.00000  109.50000
   46    49    50    35.00000  120.00000
   46    49    55    63.00000  120.00000
   46    73    69    63.00000  120.00000
   46    73    74    70.00000  120.00000
   49    55    56    35.00000  120.00000
   49    55    66    63.00000  120.00000
   55    49    50    35.00000  120.00000
   55    66    67    35.00000  120.00000
   55    66    69    63.00000  120.00000
   66    55    56    35.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    73    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    73    74    70.00000  120.00000
   73    46    49    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    74    75    90.00000  114.16000
   74    75    76   110.00000  110.36100
   74    75    77   110.00000  110.36100
   74    75    78    60.00000  110.43500
   77    75    76   110.00000  107.78700
   78    75    76    55.00000  109.56900
   78    75    77    55.00000  109.56900
   47    42    43    35.00000  109.50000
   47    42    46    70.00000  112.99600
   47    51    57    70.00000  124.00000
   47    51    60    70.00000  124.03900
   47    71    68    90.00000  111.29400
   47    71    72    80.00000  123.72100
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    68    85.00000  110.90400
   51    60    61    35.00000  114.50000
   57    68    71    83.00000  116.90000
   59    57    58    33.00000  107.80000
   68    57    58    35.00000  109.50000
   68    57    59    35.00000  109.50000
   68    71    72    83.00000  123.40000
   71    47    51    65.00000  118.96000
   60    33    37    80.00000  112.42400
   60    51    57    75.00000  116.24600
   44    37    42    70.00000  124.00000
   44    48    52    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    52    53    35.00000  109.50000
   48    52    54    35.00000  109.50000
   48    52    62    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   54    52    53    33.00000  107.80000
   62    52    53    37.50000  110.70000
   62    52    54    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    60    80.00000  111.61500
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    60    51  -0.12500  1.0 1.0
   29    33    60    51  -0.12500 -1.0 2.0
   29    33    60    51   0.25000  1.0 3.0
   29    33    60    61  -0.12500  1.0 1.0
   29    33    60    61  -0.12500 -1.0 2.0
   29    33    60    61   0.25000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    37    42    47   0.09700  1.0 1.0
   33    37    42    47   0.15600 -1.0 2.0
   33    37    42    47  -0.50800  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    48   7.00000 -1.0 2.0
   37    33    60    51  -0.12500  1.0 1.0
   37    33    60    51  -0.12500 -1.0 2.0
   37    33    60    51   0.25000  1.0 3.0
   37    33    60    61  -0.12500  1.0 1.0
   37    33    60    61  -0.12500 -1.0 2.0
   37    33    60    61   0.25000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    49   0.18050 -1.0 2.0
   37    42    46    73   0.18050 -1.0 2.0
   37    42   -47    51  -0.28300  1.0 1.0
   37    42   -47    51   0.26700 -1.0 2.0
   37    42   -47    51  -0.63300  1.0 3.0
   37    42    47    71   0.09700  1.0 1.0
   37    42    47    71   0.15600 -1.0 2.0
   37    42    47    71  -0.50800  1.0 3.0
   37    44    48    52  -2.26850  1.0 1.0
   37    44    48    52   3.39050 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    48   7.00000 -1.0 2.0
   42    46    49    50   3.62500 -1.0 2.0
   42    46    49    55   3.62500 -1.0 2.0
   42    46    73    69   3.62500 -1.0 2.0
   42    46    73    74   3.62500 -1.0 2.0
   42    47    51    57   7.00000 -1.0 2.0
   42    47    51    60   7.00000 -1.0 2.0
   42    47    71    68  -0.15000  1.0 1.0
   42    47    71    68   0.89550 -1.0 2.0
   42    47    71    68  -0.06900  1.0 3.0
   42    47    71    72  -0.64400  1.0 1.0
   42    47    71    72   0.26850 -1.0 2.0
   43    42    46    49   0.00000  1.0 1.0
   43    42    46    73   0.00000  1.0 1.0
   43    42    47    51   0.00000  1.0 1.0
   43    42    47    71   0.15000  1.0 3.0
   46    42    47    51   1.44450  1.0 1.0
   46    42    47    51   0.06600 -1.0 2.0
   46    42    47    51   0.29250  1.0 3.0
   46    42    47    71   0.09700  1.0 1.0
   46    42    47    71   0.15600 -1.0 2.0
   46    42    47    71  -0.50800  1.0 3.0
   46    49    55    56   3.62500 -1.0 2.0
   46    49    55    66   3.62500 -1.0 2.0
   46    73    74    75   1.11600 -1.0 2.0
   49    46    73    69   3.62500 -1.0 2.0
   49    46    73    74   3.62500 -1.0 2.0
   49    55    66    67   3.62500 -1.0 2.0
   49    55   -66    69   3.62500 -1.0 2.0
   50    49    55    56   3.62500 -1.0 2.0
   50    49    55    66   3.62500 -1.0 2.0
   55    66    69    70   3.62500 -1.0 2.0
   55    66    69    73   3.62500 -1.0 2.0
   56    55    66    67   3.62500 -1.0 2.0
   56    55    66    69   3.62500 -1.0 2.0
   66    69   -73    46   3.62500 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    74    75   1.11600 -1.0 2.0
   70    69    73    46   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   73    46    49    50   3.62500 -1.0 2.0
   73    46   -49    55   3.62500 -1.0 2.0
   73    74    75    76   0.73750  1.0 1.0
   73    74    75    76  -2.02850 -1.0 2.0
   73    74    75    76   0.37850  1.0 3.0
   73    74    75    77   0.73750  1.0 1.0
   73    74    75    77  -2.02850 -1.0 2.0
   73    74    75    77   0.37850  1.0 3.0
   73    74    75    78   0.08050  1.0 3.0
   47    42    46    49   0.18050 -1.0 2.0
   47    42    46    73   0.18050 -1.0 2.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51   -57    68   0.39000  1.0 1.0
   47    51   -57    68  -0.05800 -1.0 2.0
   47    51   -57    68  -0.55150  1.0 3.0
   47    51   -60    33  -0.54700  1.0 1.0
   47    51   -60    33   1.23000 -1.0 2.0
   47    51    60    61   1.00000 -1.0 2.0
   51    47   -71    68  -0.56150  1.0 1.0
   51    47   -71    68   2.19150 -1.0 2.0
   51    47    71    72   1.00000 -1.0 2.0
   51    57   -68    71  -0.82050  1.0 1.0
   51    57   -68    71   0.00600 -1.0 2.0
   51    57   -68    71   0.04400  1.0 3.0
   57    51    60    33   1.00000 -1.0 2.0
   57    51    60    61   2.40850 -1.0 2.0
   57    68   -71    47   2.00000 -1.0 2.0
   57    68    71    72   3.00000 -1.0 2.0
   58    57    68    71   0.08050  1.0 3.0
   59    57    68    71   0.08050  1.0 3.0
   71    47   -51    57   7.00000 -1.0 2.0
   71    47    51    60   7.00000 -1.0 2.0
   60    33   -37    42   0.09700  1.0 1.0
   60    33   -37    42   0.15600 -1.0 2.0
   60    33   -37    42  -0.50800  1.0 3.0
   60    33    37    44   0.62150  1.0 1.0
   60    33    37    44   0.42850 -1.0 2.0
   60    33    37    44  -0.68200  1.0 3.0
   60    33    38    39   0.22950  1.0 3.0
   60    33    38    40   0.22950  1.0 3.0
   60    33    38    41   0.22950  1.0 3.0
   60    51    57    58  -0.18050  1.0 3.0
   60    51    57    59  -0.18050  1.0 3.0
   60    51    57    68   0.09700  1.0 1.0
   60    51    57    68   0.15600 -1.0 2.0
   60    51    57    68  -0.50800  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   1.44450  1.0 1.0
   44    37    42    46   0.06600 -1.0 2.0
   44    37    42    46   0.29250  1.0 3.0
   44    37    42    47  -0.28300  1.0 1.0
   44    37    42    47   0.26700 -1.0 2.0
   44    37    42    47  -0.63300  1.0 3.0
   44    48    52    53   0.08050  1.0 3.0
   44    48    52    54   0.08050  1.0 3.0
   44    48    52    62  -0.46850  1.0 1.0
   44    48    52    62   0.09300 -1.0 2.0
   44    48    52    62  -0.12850  1.0 3.0
   45    44    48    52   2.00000 -1.0 2.0
   48    52    62    63   0.23400  1.0 3.0
   48    52    62    64   0.23400  1.0 3.0
   48    52    62    65   0.23400  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    64   0.15000  1.0 3.0
   53    52    62    65   0.15000  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    64   0.15000  1.0 3.0
   54    52    62    65   0.15000  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    60    51   0.25450  1.0 1.0
   38    33    60    51  -0.61700 -1.0 2.0
   38    33    60    51  -0.23550  1.0 3.0
   38    33    60    61   0.00000  1.0 1.0
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
   33    42    37    44   1.10000 -1.0 2.0
   49    73    46    42   4.00000 -1.0 2.0
   55    50    49    46   1.10000 -1.0 2.0
   66    56    55    49   1.10000 -1.0 2.0
   69    67    66    55   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    74    73    46   4.00000 -1.0 2.0
   42    71    47    51   1.10000 -1.0 2.0
   57    60    51    47   1.10000 -1.0 2.0
   47    68    71    72  10.50000 -1.0 2.0
   61    51    60    33   1.00000 -1.0 2.0
   45    48    44    37   1.10000 -1.0 2.0
END
