* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    29.27452    97.28467   -19.04349
    2     1 S   H    _HN1     2     1.02849    62.45954   -20.19422
    3     1 S   H    _H1_     3     1.02933    53.50350   123.53287
    4     1 S   H    _H2_     4     1.02808    95.11481  -128.10789
    5     1 S   CT   _CA1     5     1.50499   152.41450    63.13392
    6     5 S   HC   _HA1     6     1.09692   104.58041   110.99061
    7     5 S   CO3  _C1_     7     1.54442   110.79755    -4.98684
    8     7 S   O2Z  _O11     8     1.26025   116.66273  -112.69357
    9     7 S   O2Z  _O12     9     1.26579   113.77201    65.54394
   10     5 S   CT   _CB1    10     1.53122   106.95251  -133.04971
   11    10 S   HC   HB11    11     1.09841   110.01106   -43.13441
   12    10 S   HC   HB12    12     1.09759   110.33634    73.64443
   13    10 S   CT   _CG1    13     1.52946   112.04668  -163.54650
   14    13 S   HC   HG11    14     1.09409   110.62282   -60.67061
   15    13 S   HC   HG12    15     1.09654   109.59937    58.34201
   16    13 S   C    _CD1    16     1.51741   112.28906   179.21366
   17    16 S   O    _OE1    17     1.22788   123.13652    13.04132
   18    16 S   N    _N2_    18     1.38695   111.98855  -167.51527
   19    18 S   H    _HN2    19     1.01839   118.95809     1.24427
   20    18 S   CT1  _CA2    20     1.46299   123.33696  -178.37816
   21    20 S   HC   _HA2    21     1.09752   108.70545    14.18930
   22    20 S   C    _C2_    22     1.53669   110.44859  -101.86087
   23    22 S   O    _O2_    23     1.23156   121.82532  -154.91523
   24    20 S   CT   _CB2    32     1.53657   111.54390   135.26824
   25    24 S   HC   HB21    33     1.09095   109.45183    66.61532
   26    24 S   HC   HB22    34     1.09551   110.28028  -176.11526
   27    22 S   N    _N3_    24     1.38197   114.40067    32.56093
   28    27 S   H    _HN3    25     1.01511   119.67138    -4.40567
   29    24 S   S    _SG2    35     1.82923   111.00237   -57.13057
   30    27 S   CT   _CA3    26     1.45288   123.18632   176.85216
   31    30 S   HC   HA31    27     1.09556   107.63587   -60.77466
   32    30 S   HC   HA32    28     1.09557   107.82221    55.61599
   33    29 S   CT   _C21    36     1.89291   102.29089   139.81694
   34    30 S   CO3  _C3_    29     1.52957   114.16999   177.48394
   35    34 S   O2Z  _O31    30     1.26369   116.13160    -1.27395
   36    34 S   O2Z  _O32    31     1.26446   114.40122   178.74993
   37    33 S   CO4  _C22    37     1.55129   107.25256   -57.46030
   38    37 S   O    _O37    38     1.23815   120.57938    98.47693
   39    33 S   CT   _C20    71     1.56410   108.54268  -177.22865
   40    39 S   OM   _O39    72     1.32578   110.03078  -176.30234
   41    39 S   HC   _H4_    73     1.10058   107.27325   -44.92364
   42    33 S   C    _C23    74     1.55931   104.64314    64.28657
   43    42 S   O    _O38    75     1.23016   124.16276  -115.75191
   44    37 S   CT   _C16    39     1.55222   118.69048   -83.15754
   45    44 S   OM   _O40    40     1.32507   105.02481   133.64820
   46    42 S   N    _N4_    76     1.37991   115.17631    63.88460
   47    46 S   H    _H14    77     1.01339   122.45006    -1.29679
   48    46 S   H    _H15    78     1.01325   120.26695   179.51786
   49    44 S   CO4  _C15    41     1.53453   111.19875  -112.25060
   50    49 S   O    _O35    42     1.23286   121.04214   -32.13068
   51    49 S   CA   _C7_    43     1.50770   120.30868   148.74966
   52    51 S   CA   _C6_    44     1.39645   120.20839     5.49829
   53    52 S   CA   _C5_    45     1.42678   119.63799   174.79354
   54    52 S   CT   _C18    64     1.51318   120.09737    -3.32896
   55    54 S   HC   _H12    65     1.09742   108.09812    96.62707
   56    54 S   HC   _H13    66     1.09659   110.11644  -146.90251
   57    53 S   CA   _C10    46     1.44996   121.73304     9.93771
   58    53 S   CT   _C4_    60     1.51781   117.26843  -168.19054
   59    58 S   HC   _H5_    61     1.09343   110.68614   -97.53453
   60    58 S   HC   _H6_    62     1.09414   112.60603    23.65459
   61    58 S   HC   _H7_    63     1.09374   110.74727   138.29846
   62    44 S   CT   _C17    67     1.52859   113.23503    13.95371
   63    62 S   HC   _H3_    68     1.09921   110.86576    66.77168
   64    57 S   CA   _C9_    47     1.42856   117.10816   -10.29992
   65    62 S   CO4  _C19    69     1.53645   112.10303   -49.40224
   66    65 S   O    _O36    70     1.23686   120.97969  -147.18353
   67    64 S   CA   _C14    48     1.43032   118.59814  -175.36287
   68    51 S   CA   _C8_    57     1.40784   120.98185  -176.05826
   69    67 S   CA   _C13    49     1.39071   123.04375    -1.89672
   70    69 S   HA   _H9_    50     1.08588   121.44224  -179.82529
   71    67 S   OH   _O33    55     1.37623   120.46915   178.12696
   72    71 S   HO   _H10    56     0.97141   109.68958   179.44398
   73    68 S   OH   _O34    58     1.37915   119.97977     1.02010
   74    73 S   HO   _H11    59     0.97243   109.85522    -0.37009
   75    69 S   CA   _C12    51     1.37626   119.02101    -1.52547
   76    75 S   HA   _H8_    52     1.08771   118.82438  -177.20656
   77    57 S   CA   _C11    53     1.44425   126.70805   169.49554
   78    77 S   Cl   Cl1_    54     1.74026   124.28317    -9.59548
  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  16   6  11   5   4   6   3  13   7   2   1   1
  11   4  13  16  15   9   4   3  14   5   2   1   1   3   2  11
   1   1   9   5   7   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    65    39    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    49    62    65    66    39    40    41    42    43    46    47    48  
   35    36  
   36  
    0  
   38    44    45    49    50    51    54    62    63    65    39    40    41    42    43    46  
   44    45    49    62    39    42  
   40    41    42    43    46    44    54    62    63    65    66  
   41    42    62    65    66  
   42    62    65    66  
   43    46    47    48    44    65  
   46    47    48  
   45    49    50    51    52    68    54    55    56    62    63    65    66  
   49    50    51    54    62    63    65  
   47    48  
   48  
    0  
   50    51    52    53    64    68    73    54    62    63    65  
   51    52    68    62  
   52    53    57    64    67    68    73    74    58    54    55    56    62  
   53    57    64    77    68    73    58    59    60    61    54    55    56    62    63    65  
   57    64    67    75    77    78    68    58    59    60    61    54    55    56    62  
   55    56    62    63    65    66    57    58    68  
   56    62    63    65  
   62    63    65  
   64    67    69    75    76    77    78    71    68    73    58    59    60    61  
   59    60    61    64    77  
   60    61  
   61  
    0  
   63    65    66  
   65    66  
   67    69    70    75    77    78    71    72    68    73    74  
   66  
    0  
   69    70    75    76    77    71    72    68    73  
   73    74    69    71    77  
   70    75    76    77    78    71    72  
   75    76    77    71  
   72    75  
    0  
   74  
    0  
   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   0.167500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   44   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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  1.522
   33    39   268.000  1.529
   33    42   317.000  1.522
   37    38   570.000  1.229
   37    44   317.000  1.522
   44    45   570.000  1.307
   44    49   317.000  1.522
   44    62   268.000  1.529
   49    50   570.000  1.229
   49    51   310.000  1.470
   51    52   469.000  1.400
   51    68   469.000  1.400
   52    53   469.000  1.400
   52    54   317.000  1.510
   53    57   469.000  1.400
   53    58   317.000  1.510
   57    64   469.000  1.400
   57    77   469.000  1.400
   64    67   469.000  1.400
   64    68   469.000  1.400
   67    69   469.000  1.400
   67    71   450.000  1.364
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   71    72   553.000  0.945
   68    73   450.000  1.364
   73    74   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    62   268.000  1.529
   62    63   340.000  1.090
   62    65   317.000  1.522
   65    66   570.000  1.229
   65    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   570.000  1.229
   42    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    70.00000  112.33000
   33    37    38    80.00000  120.40000
   33    37    44    70.00000  116.00000
   33    39    65    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    80.00000  120.40000
   33    42    46    70.00000  116.60000
   37    44    45    90.00000  108.74100
   37    44    49    75.00000  107.99600
   37    44    62    63.00000  111.10000
   44    37    38    80.00000  120.40000
   44    49    50    80.00000  120.40000
   44    49    51    65.00000  115.47100
   44    62    54    58.35000  112.70000
   44    62    63    37.50000  110.70000
   44    62    65    63.00000  111.10000
   49    44    45    90.00000  108.74100
   49    51    52    60.00000  119.52600
   49    51    68    60.00000  119.52600
   51    49    50    75.00000  123.78400
   51    52    53    63.00000  120.00000
   51    52    54    70.00000  120.00000
   51    68    64    63.00000  120.00000
   51    68    73    70.00000  120.00000
   52    53    57    63.00000  120.00000
   52    53    58    70.00000  120.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    62    70.00000  112.17500
   53    57    64    63.00000  120.00000
   53    57    77    63.00000  120.00000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    61    35.00000  109.50000
   57    64    67    63.00000  120.00000
   57    64    68    63.00000  120.00000
   57    77    75    63.00000  120.00000
   57    77    78    75.00000  120.00000
   64    67    69    63.00000  120.00000
   64    67    71    70.00000  120.00000
   64    68    73    70.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    75    63.00000  120.00000
   67    71    72    35.00000  113.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    57    64    63.00000  120.00000
   77    75    76    35.00000  120.00000
   71    67    69    70.00000  120.00000
   68    51    52    63.00000  120.00000
   68    64    67    63.00000  120.00000
   68    73    74    35.00000  113.00000
   58    53    57    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   54    52    53    70.00000  120.00000
   54    62    63    37.50000  110.70000
   54    62    65    63.00000  111.10000
   56    54    55    33.00000  107.80000
   62    44    45    50.00000  109.50000
   62    44    49    63.00000  111.10000
   62    54    55    37.50000  110.70000
   62    54    56    37.50000  110.70000
   62    65    66    80.00000  120.40000
   62    65    39    70.00000  116.00000
   65    62    63    35.00000  109.50000
   65    39    40    90.00000  108.74100
   65    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    65    66    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    70.00000  107.85200
   42    33    39    63.00000  111.10000
   42    46    47    35.00000  119.80000
   42    46    48    35.00000  119.80000
   46    42    43    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    65   0.56750  1.0 1.0
   29    33    39    65  -0.07550 -1.0 2.0
   29    33    39    65   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.30150 -1.0 2.0
   29    33    42    46   0.00000  1.0 1.0
   33    37    44    45   0.55300  1.0 1.0
   33    37    44    45   1.25850 -1.0 2.0
   33    37    44    45  -0.23600  1.0 3.0
   33    37    44    49   0.65300  1.0 1.0
   33    37    44    49  -0.03850 -1.0 2.0
   33    37    44    49   0.33900  1.0 3.0
   33    37    44    62   0.60050  1.0 1.0
   33    37    44    62   0.05600 -1.0 2.0
   33    37    44    62   0.26150  1.0 3.0
   33    42    46    47   2.45000 -1.0 2.0
   33    42    46    48   2.45000 -1.0 2.0
   37    33    39    65   0.11950  1.0 1.0
   37    33    39    65   0.20300 -1.0 2.0
   37    33    39    65  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43   0.30150 -1.0 2.0
   37    33    42    46   0.00000  1.0 1.0
   37    44    49    50   0.30150 -1.0 2.0
   37    44    49    51   0.65300  1.0 1.0
   37    44    49    51  -0.03850 -1.0 2.0
   37    44    49    51   0.33900  1.0 3.0
   37    44    62    54  -0.95700  1.0 1.0
   37    44    62    54  -0.18200 -1.0 2.0
   37    44    62    54   0.29450  1.0 3.0
   37    44    62    63  -0.11250  1.0 3.0
   37    44   -62    65   0.11950  1.0 1.0
   37    44   -62    65   0.20300 -1.0 2.0
   37    44   -62    65  -0.70800  1.0 3.0
   38    37    44    45   0.30150 -1.0 2.0
   38    37    44    49   0.30150 -1.0 2.0
   38    37    44    62   0.30150 -1.0 2.0
   44    49    51    52   2.26350  1.0 1.0
   44    49    51    52   0.76750 -1.0 2.0
   44    49    51    52   0.22500  1.0 3.0
   44    49    51    68   2.26350  1.0 1.0
   44    49    51    68   0.76750 -1.0 2.0
   44    49    51    68   0.22500  1.0 3.0
   44    62    65    66   0.30150 -1.0 2.0
   44    62    65    39   0.60050  1.0 1.0
   44    62    65    39   0.05600 -1.0 2.0
   44    62    65    39   0.26150  1.0 3.0
   45    44    49    50   0.30150 -1.0 2.0
   45    44    49    51   0.65300  1.0 1.0
   45    44    49    51  -0.03850 -1.0 2.0
   45    44    49    51   0.33900  1.0 3.0
   45    44    62    54   0.62750  1.0 1.0
   45    44    62    54  -0.30950 -1.0 2.0
   45    44    62    54   0.27300  1.0 3.0
   45    44    62    63   0.23400  1.0 3.0
   45    44    62    65  -0.09450  1.0 1.0
   45    44    62    65  -1.12950 -1.0 2.0
   45    44    62    65   0.54000  1.0 3.0
   49    44    62    54  -0.95700  1.0 1.0
   49    44    62    54  -0.18200 -1.0 2.0
   49    44    62    54   0.29450  1.0 3.0
   49    44    62    63  -0.11250  1.0 3.0
   49    44    62    65   0.11950  1.0 1.0
   49    44    62    65   0.20300 -1.0 2.0
   49    44    62    65  -0.70800  1.0 3.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51   -52    54   3.62500 -1.0 2.0
   49    51    68    64   3.62500 -1.0 2.0
   49    51    68    73   3.62500 -1.0 2.0
   50    49    51    52   1.05000 -1.0 2.0
   50    49    51    68   1.05000 -1.0 2.0
   51    52    53    57   3.62500 -1.0 2.0
   51    52    53    58   3.62500 -1.0 2.0
   51    52    54    55   0.00000  1.0 1.0
   51    52    54    56   0.00000  1.0 1.0
   51    52    54    62   0.04150 -1.0 2.0
   51    68    73    74   0.84100 -1.0 2.0
   52    51    68    64   3.62500 -1.0 2.0
   52    51    68    73   3.62500 -1.0 2.0
   52    53   -57    64   3.62500 -1.0 2.0
   52    53    57    77   3.62500 -1.0 2.0
   52    53    58    59   0.00000  1.0 1.0
   52    53    58    60   0.00000  1.0 1.0
   52    53    58    61   0.00000  1.0 1.0
   52    54   -62    44  -0.03700  1.0 1.0
   52    54   -62    44   0.37200 -1.0 2.0
   52    54   -62    44  -0.47300  1.0 3.0
   52    54    62    63   0.43200  1.0 3.0
   52    54    62    65   0.56750  1.0 1.0
   52    54    62    65  -0.07550 -1.0 2.0
   52    54    62    65   0.20000  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.00000  1.0 1.0
   53    52    54    62   0.04150 -1.0 2.0
   53    57    64    67   3.62500 -1.0 2.0
   53    57    64    68   3.62500 -1.0 2.0
   53    57    77    75   3.62500 -1.0 2.0
   53    57    77    78   3.62500 -1.0 2.0
   57    53    58    59   0.00000  1.0 1.0
   57    53    58    60   0.00000  1.0 1.0
   57    53    58    61   0.00000  1.0 1.0
   57    64    67    69   3.62500 -1.0 2.0
   57    64    67    71   3.62500 -1.0 2.0
   57    64   -68    51   3.62500 -1.0 2.0
   57    64    68    73   3.62500 -1.0 2.0
   64    57    77    75   3.62500 -1.0 2.0
   64    57    77    78   3.62500 -1.0 2.0
   64    67    69    70   3.62500 -1.0 2.0
   64    67   -69    75   3.62500 -1.0 2.0
   64    67    71    72   0.84100 -1.0 2.0
   64    68    73    74   0.84100 -1.0 2.0
   67    64    68    51   3.62500 -1.0 2.0
   67    64    68    73   3.62500 -1.0 2.0
   67    69    75    76   3.62500 -1.0 2.0
   67    69    75    77   3.62500 -1.0 2.0
   69    67    71    72   0.84100 -1.0 2.0
   69    75   -77    57   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   76    75    77    57   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    57   -64    67   3.62500 -1.0 2.0
   77    57    64    68   3.62500 -1.0 2.0
   71    67    69    70   3.62500 -1.0 2.0
   71    67    69    75   3.62500 -1.0 2.0
   68    51   -52    53   3.62500 -1.0 2.0
   68    51    52    54   3.62500 -1.0 2.0
   68    64    67    69   3.62500 -1.0 2.0
   68    64    67    71   3.62500 -1.0 2.0
   58    53    57    64   3.62500 -1.0 2.0
   58    53    57    77   3.62500 -1.0 2.0
   54    52    53    57   3.62500 -1.0 2.0
   54    52    53    58   3.62500 -1.0 2.0
   54    62    65    66   0.30150 -1.0 2.0
   54    62    65    39   0.60050  1.0 1.0
   54    62    65    39   0.05600 -1.0 2.0
   54    62    65    39   0.26150  1.0 3.0
   55    54    62    44   0.15000  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    65  -0.11250  1.0 3.0
   56    54    62    44   0.15000  1.0 3.0
   56    54    62    63   0.15000  1.0 3.0
   56    54    62    65  -0.11250  1.0 3.0
   62    44    49    50   0.30150 -1.0 2.0
   62    44   -49    51   0.05850 -1.0 2.0
   62    44   -49    51   0.17250  1.0 3.0
   62    65   -39    33   0.60050  1.0 1.0
   62    65   -39    33   0.05600 -1.0 2.0
   62    65   -39    33   0.26150  1.0 3.0
   62    65    39    40   0.55300  1.0 1.0
   62    65    39    40   1.25850 -1.0 2.0
   62    65    39    40  -0.23600  1.0 3.0
   62    65    39    41   0.00000  1.0 1.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    39   0.00000  1.0 1.0
   66    65    39    33   0.30150 -1.0 2.0
   66    65    39    40   0.30150 -1.0 2.0
   66    65    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.60050  1.0 1.0
   39    33   -37    44   0.05600 -1.0 2.0
   39    33   -37    44   0.26150  1.0 3.0
   39    33    42    43   0.30150 -1.0 2.0
   39    33    42    46   1.39750  1.0 1.0
   39    33    42    46  -0.07950 -1.0 2.0
   39    33    42    46  -0.18750  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.65300  1.0 1.0
   42    33    37    44  -0.03850 -1.0 2.0
   42    33    37    44   0.33900  1.0 3.0
   42    33    39    65   0.11950  1.0 1.0
   42    33    39    65   0.20300 -1.0 2.0
   42    33    39    65  -0.70800  1.0 3.0
   42    33    39    40  -0.09450  1.0 1.0
   42    33    39    40  -1.12950 -1.0 2.0
   42    33    39    40   0.54000  1.0 3.0
   42    33    39    41  -0.11250  1.0 3.0
   43    42    46    47   2.45000 -1.0 2.0
   43    42    46    48   2.45000 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   44    51    49    50  10.50000 -1.0 2.0
   52    68    51    49   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   57    58    53    52   4.00000 -1.0 2.0
   64    77    57    53   4.00000 -1.0 2.0
   67    68    64    57   4.00000 -1.0 2.0
   69    71    67    64   4.00000 -1.0 2.0
   75    70    69    67   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    57   4.00000 -1.0 2.0
   64    73    68    51   4.00000 -1.0 2.0
   62    39    65    66  10.50000 -1.0 2.0
   33    46    42    43  10.50000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
