* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    147    232     424
    1     0 S   NP   _N1_     1    29.78399    97.94504   -16.10497
    2     1 S   H    _HN1     2     1.02922    98.26507    48.31954
    3     1 S   H    _H1_     3     1.02873    58.11256   153.63862
    4     1 S   H    _H2_     4     1.02774    56.00402   -57.98385
    5     1 S   CT   _CA1     5     1.50000   151.15322  -131.57163
    6     5 S   HC   _HA1     6     1.09627   105.06306    -1.05481
    7     5 S   CO3  _C1_     7     1.53811   112.06347  -120.31754
    8     7 S   O2Z  _O11     8     1.26238   115.37983   -63.38299
    9     7 S   O2Z  _O12     9     1.26291   114.73782   115.32662
   10     5 S   CT   _CB1    10     1.53072   107.17480   115.70626
   11    10 S   HC   HB11    11     1.09812   108.89258   -54.87858
   12    10 S   HC   HB12    12     1.09780   110.80722    61.51888
   13    10 S   CT   _CG1    13     1.52902   112.48523  -176.15947
   14    13 S   HC   HG11    14     1.09613   110.14450   -67.64953
   15    13 S   HC   HG12    15     1.09659   110.15659    51.35791
   16    13 S   C    _CD1    16     1.51825   112.36941   171.13616
   17    16 S   O    _OE1    17     1.22725   123.27024   -11.64067
   18    16 S   N    _N2_    18     1.38586   111.66660   169.71598
   19    18 S   H    _HN2    19     1.01600   118.94376    -1.95615
   20    18 S   CT1  _CA2    20     1.45991   123.45366   177.80029
   21    20 S   HC   _HA2    21     1.09753   109.15744   -17.98796
   22    20 S   C    _C2_    22     1.53547   107.87703  -133.14903
   23    22 S   O    _O2_    23     1.23001   122.38554  -145.22891
   24    20 S   CT   _CB2    32     1.53368   112.15186   104.41151
   25    24 S   HC   HB21    33     1.09541   110.91341    54.22111
   26    24 S   HC   HB22    34     1.09559   109.79620   171.83610
   27    22 S   N    _N3_    24     1.38561   113.28133    42.14626
   28    27 S   H    _HN3    25     1.01531   118.90011    -0.58148
   29    24 S   S    _SG2    35     1.82674   112.83108   -70.46281
   30    27 S   CT   _CA3    26     1.45455   123.45022   175.01159
   31    30 S   HC   HA31    27     1.09523   109.21916    24.55261
   32    30 S   HC   HA32    28     1.09494   107.11683   141.57350
   33    29 S   CT   _C11    36     1.83331   100.01387   107.72422
   34    33 S   F    F1__    37     1.36559   108.41625   -59.93287
   35    33 S   F    F2__    38     1.36566   108.87695    53.22649
   36    30 S   CO3  _C3_    29     1.52939   113.16903   -98.90181
   37    36 S   O2Z  _O31    30     1.26400   115.44269   -42.84889
   38    36 S   O2Z  _O32    31     1.26360   114.95311   138.08977
   39    33 S   CA   _C10    39     1.51817   110.26205   176.86800
   40    39 S   CA   _C9_    40     1.41120   118.79659    98.43909
   41    40 S   HA   _H7_    41     1.08450   119.17919     0.29475
   42    40 S   CA   _C8_    42     1.38667   119.36646  -179.46405
   43    42 S   CA   _C7_    43     1.39257   120.23171     0.22814
   44    43 S   CA   _C6_    44     1.38777   121.67154    -0.07402
   45    44 S   HA   _H6_    45     1.08445   118.64952  -179.80923
   46    43 S   CT   _C13    52     1.49335   111.81803  -179.06414
   47    46 S   HC   _H10    53     1.09459   110.91299   115.47142
   48    46 S   HC   _H11    54     1.09417   111.74841  -121.86792
   49    39 S   CA   _C5_    46     1.41892   121.38258   -80.60624
   50    46 S   CT   _C12    55     1.53026   102.08909    -2.85218
   51    50 S   HC   _H8_    56     1.09582   111.58517   124.11730
   52    50 S   HC   _H9_    57     1.09634   111.07934  -114.92921
   53    49 S   OS   _O33    47     1.37282   116.00368    -0.31466
   54    42 S   N    _N4_    58     1.41343   129.70187  -179.56840
   55    53 S   CT   _C4_    48     1.42215   117.56082   179.03876
   56    55 S   HC   _H3_    49     1.09428   107.71994  -179.47885
   57    55 S   HC   _H4_    50     1.09489   111.12550    62.83173
   58    55 S   HC   _H5_    51     1.09493   111.16025   -61.77341
   59    54 S   C    _C14    59     1.40352   125.73348     2.72124
   60    59 S   O    _O34    60     1.23053   123.39870    -0.00000
   61    59 S   N    _N5_    61     1.39853   113.07899  -179.87805
   62    61 S   H    _H12    62     1.01334   117.37274    14.66212
   63    61 S   CA   _C15    63     1.41568   127.52275  -169.85384
   64    63 S   CA   _C16    64     1.40229   124.14353    10.47072
   65    64 S   HA   _H13    65     1.08587   120.35905     0.59083
   66    64 S   CA   _C17    66     1.41225   121.64109   179.62570
   67    66 S   CA   _C18    67     1.40256   118.08830    -0.29608
   68    67 S   HA   _H14    68     1.08722   121.04306  -179.45571
   69    66 S   CA   _C21    73     1.47198   120.88699   179.67736
   70    67 S   CA   _C19    69     1.39114   120.24843    -0.51624
   71    70 S   F    F3__    70     1.34031   119.38201  -179.45035
   72    69 S   CA   _C22    74     1.40132   122.05765    47.51535
   73    72 S   HA   _H16    75     1.08819   120.71681     1.11083
   74    63 S   CA   _C20    71     1.39810   116.96579  -171.04724
   75    74 S   HA   _H15    72     1.08670   121.16620     0.66705
   76    72 S   CA   _C23    76     1.39277   120.73702  -178.83652
   77    76 S   HA   _H17    77     1.08433   120.86946   179.67857
   78    76 S   CA   _C24    78     1.38235   118.03345     0.08156
   79    78 S   HA   _H18    79     1.08510   120.89560   179.80719
   80    78 S   NB   _N6_    80     1.34927   123.77744    -0.04846
   81    69 S   CA   _C25    81     1.39598   122.00654  -131.54614
   82    81 S   HA   _H19    82     1.08704   121.23359    -0.44762
  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   6   5   4   3
   9   4   3   2   1   1  10  10   4  14  12   9   3   8   5   4
   5   6   3   2   4   5   3   2   1   1   6   3   8   3   9  10
   4  12   8   4   9   3   2   8   4   1   1   5   3   4   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    49    53  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    53    55    54  
   41    42    43    44    49    53    46    50    54    59  
   42    43    49    54  
   43    44    45    49    46    47    48    50    51    52    54    59    60    61  
   44    45    49    53    46    47    48    50    51    52    54    59  
   45    49    53    55    46    47    48    50    54  
   49    53    46  
   47    48    50    51    52    54    59    49  
   48    50    51    52    54  
   50    51    52    54  
   53    55    56    57    58  
   51    52    54    59    60    61  
   52    54    59  
   54    59  
   55    56    57    58  
   59    60    61    62    63  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    74  
   61    62    63  
   62    63    64    65    66    70    74    75  
   63    64    74  
   64    65    66    67    70    71    74    75    69  
   65    66    67    68    70    74    75    69    72    81  
   66    67    74    69  
   67    68    70    71    74    69    72    73    76    80    81    82  
   68    70    71    74    75    69    72    81  
   70    71    74    69  
   72    73    76    77    78    80    81    82    70  
   71    74    75  
   74    75  
   73    76    77    78    79    80    81    82  
   76    77    78    81  
   75  
    0  
   77    78    79    80    81  
   78    79    80  
   79    80    81    82  
   80    81  
   81    82  
   82  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.085000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.2500   0.1700  -0.257200   1.8100   1.6000   0.054801302  -1.445846770
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.813700   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   61   3.2500   0.1700  -0.472700   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5500   0.0700   0.106600   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.292000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   72   3.5500   0.0700   0.227000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.065000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.447000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.155000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
   80   3.2500   0.1700  -0.678000   1.8650   1.6500   0.001000000  -0.511443539
   81   3.5500   0.0700   0.473000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.012000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    54   360.000  1.404
   43    44   469.000  1.400
   43    46   317.000  1.510
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    53   450.000  1.364
   53    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   337.000  1.449
   54    59   490.000  1.335
   59    60   570.000  1.229
   59    61   490.000  1.335
   61    62   434.000  1.010
   61    63   360.000  1.404
   63    64   469.000  1.400
   63    74   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   469.000  1.400
   66    69   375.000  1.464
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    71   420.000  1.354
   70    74   469.000  1.400
   74    75   367.000  1.080
   69    72   469.000  1.400
   69    81   469.000  1.400
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   483.000  1.339
   80    81   483.000  1.339
   81    82   367.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    44    63.00000  120.00000
   39    49    53    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    54    70.00000  119.01900
   42    40    41    35.00000  120.00000
   42    43    44    63.00000  120.00000
   42    43    46    70.00000  120.00000
   42    54    50    70.00000  121.06000
   42    54    59    65.00000  121.96500
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    50    70.00000  112.17500
   44    49    53    70.00000  120.00000
   49    39    40    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    53    55    75.00000  111.00000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   46    43    44    70.00000  120.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    54    70.00000  110.72300
   48    46    47    33.00000  107.80000
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    54    59    50.00000  121.90000
   52    50    51    33.00000  107.80000
   54    42    43    70.00000  119.01900
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    59    60    80.00000  122.90000
   54    59    61    90.00000  111.91700
   59    61    62    35.00000  119.80000
   59    61    63    65.00000  121.96500
   61    59    60    80.00000  122.90000
   61    63    64    70.00000  119.01900
   61    63    74    70.00000  119.01900
   63    61    62    45.00000  118.23600
   63    64    65    35.00000  120.00000
   63    64    66    63.00000  120.00000
   63    74    70    63.00000  120.00000
   63    74    75    35.00000  120.00000
   64    66    67    63.00000  120.00000
   64    66    69    60.00000  122.76000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    70    63.00000  120.00000
   66    69    72    60.00000  122.76000
   66    69    81    60.00000  122.76000
   67    70    71    80.00000  120.00000
   67    70    74    63.00000  120.00000
   70    67    68    35.00000  120.00000
   70    74    75    35.00000  120.00000
   74    63    64    63.00000  120.00000
   74    70    71    80.00000  120.00000
   69    66    67    60.00000  122.76000
   69    72    73    35.00000  120.00000
   69    72    76    63.00000  120.00000
   69    81    80    70.00000  124.00000
   69    81    82    35.00000  120.00000
   72    76    77    35.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    80    81    70.00000  117.00000
   80    78    79    35.00000  116.00000
   80    81    82    35.00000  116.00000
   81    69    72    63.00000  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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    44   3.62500 -1.0 2.0
   33    39    49    53   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    54   3.62500 -1.0 2.0
   39    49    53    55   1.63200 -1.0 2.0
   40    39    49    44   3.62500 -1.0 2.0
   40    39    49    53   3.62500 -1.0 2.0
   40    42   -43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    54    50   0.81400  1.0 1.0
   40    42    54    50   1.55550 -1.0 2.0
   40    42    54    59   1.00100  1.0 1.0
   40    42    54    59   0.85050 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    54   3.62500 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43    46    47   0.00000  1.0 1.0
   42    43    46    48   0.00000  1.0 1.0
   42    43   -46    50   0.04150 -1.0 2.0
   42    54    59    60   0.04000 -1.0 2.0
   42    54    59    61   0.54900  1.0 1.0
   42    54    59    61   1.90750 -1.0 2.0
   43    42   -54    50   0.81400  1.0 1.0
   43    42   -54    50   1.55550 -1.0 2.0
   43    42    54    59   1.00100  1.0 1.0
   43    42    54    59   0.85050 -1.0 2.0
   43    44   -49    39   3.62500 -1.0 2.0
   43    44    49    53   3.62500 -1.0 2.0
   43    46    50    51   0.43200  1.0 3.0
   43    46    50    52   0.43200  1.0 3.0
   43    46   -50    54   0.08550  1.0 1.0
   43    46   -50    54   1.07500 -1.0 2.0
   43    46   -50    54  -0.10950  1.0 3.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    48   0.00000  1.0 1.0
   44    43    46    50   0.04150 -1.0 2.0
   44    49    53    55   1.63200 -1.0 2.0
   45    44    49    39   3.62500 -1.0 2.0
   45    44    49    53   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   49    53    55    56   0.08050  1.0 3.0
   49    53    55    57   0.08050  1.0 3.0
   49    53    55    58   0.08050  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   3.62500 -1.0 2.0
   46    50   -54    42   0.36200 -1.0 2.0
   46    50    54    59  -0.43950  1.0 1.0
   46    50    54    59  -0.08100 -1.0 2.0
   46    50    54    59   0.03350  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    54   0.15000  1.0 3.0
   50    54    59    60   3.04450 -1.0 2.0
   50    54    59    61   4.56800  1.0 1.0
   50    54    59    61   0.31650 -1.0 2.0
   51    50    54    42   0.00000  1.0 1.0
   51    50    54    59   0.00000  1.0 1.0
   52    50    54    42   0.00000  1.0 1.0
   52    50    54    59   0.00000  1.0 1.0
   54    42    43    44   3.62500 -1.0 2.0
   54    42   -43    46   3.62500 -1.0 2.0
   54    59    61    62   2.56700 -1.0 2.0
   54    59    61    63   0.54900  1.0 1.0
   54    59    61    63   1.90750 -1.0 2.0
   59    61    63    64   1.00100  1.0 1.0
   59    61    63    64   0.85050 -1.0 2.0
   59    61    63    74   1.00100  1.0 1.0
   59    61    63    74   0.85050 -1.0 2.0
   60    59    61    62   2.45000 -1.0 2.0
   60    59    61    63   0.04000 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    66   3.62500 -1.0 2.0
   61    63    74    70   3.62500 -1.0 2.0
   61    63    74    75   3.62500 -1.0 2.0
   62    61    63    64   0.97800 -1.0 2.0
   62    61    63    74   0.97800 -1.0 2.0
   63    64    66    67   3.62500 -1.0 2.0
   63    64    66    69   3.62500 -1.0 2.0
   64    63    74    70   3.62500 -1.0 2.0
   64    63    74    75   3.62500 -1.0 2.0
   64    66    67    68   3.62500 -1.0 2.0
   64    66   -67    70   3.62500 -1.0 2.0
   64    66    69    72  -0.19450  1.0 1.0
   64    66    69    72   0.63300 -1.0 2.0
   64    66    69    72   0.07450  1.0 3.0
   64    66    69    81  -0.19450  1.0 1.0
   64    66    69    81   0.63300 -1.0 2.0
   64    66    69    81   0.07450  1.0 3.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    69   3.62500 -1.0 2.0
   66    67    70    71   3.62500 -1.0 2.0
   66    67    70    74   3.62500 -1.0 2.0
   66    69    72    73   3.62500 -1.0 2.0
   66    69    72    76   3.62500 -1.0 2.0
   66    69    81    80   3.62500 -1.0 2.0
   66    69    81    82   3.62500 -1.0 2.0
   67    66    69    72  -0.19450  1.0 1.0
   67    66    69    72   0.63300 -1.0 2.0
   67    66    69    72   0.07450  1.0 3.0
   67    66    69    81  -0.19450  1.0 1.0
   67    66    69    81   0.63300 -1.0 2.0
   67    66    69    81   0.07450  1.0 3.0
   67    70   -74    63   3.62500 -1.0 2.0
   67    70    74    75   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   68    67    70    74   3.62500 -1.0 2.0
   71    70    74    63   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   74    63    64    65   3.62500 -1.0 2.0
   74    63   -64    66   3.62500 -1.0 2.0
   69    66    67    68   3.62500 -1.0 2.0
   69    66    67    70   3.62500 -1.0 2.0
   69    72    76    77   3.62500 -1.0 2.0
   69    72    76    78   3.62500 -1.0 2.0
   72    69    81    80   3.62500 -1.0 2.0
   72    69    81    82   3.62500 -1.0 2.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76   -78    80   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -81    69   3.62500 -1.0 2.0
   78    80    81    82   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   81    69    72    73   3.62500 -1.0 2.0
   81    69   -72    76   3.62500 -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
   37    30    36    38  10.50000 -1.0 2.0
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    54    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   44    53    49    39   4.00000 -1.0 2.0
   50    59    54    42   1.00000 -1.0 2.0
   54    61    59    60  10.50000 -1.0 2.0
   62    59    61    63   1.00000 -1.0 2.0
   64    74    63    61   4.00000 -1.0 2.0
   66    65    64    63   1.10000 -1.0 2.0
   67    69    66    64   4.00000 -1.0 2.0
   70    68    67    66   1.10000 -1.0 2.0
   74    71    70    67   4.00000 -1.0 2.0
   70    75    74    63   1.10000 -1.0 2.0
   72    81    69    66   4.00000 -1.0 2.0
   76    73    72    69   1.10000 -1.0 2.0
   78    77    76    72   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   80    82    81    69   1.10000 -1.0 2.0
END
