* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    118    179     341
    1     0 S   NP   _N1_     1    27.98540    95.23798   -22.21134
    2     1 S   H    _HN1     2     1.02836    32.24549   146.51889
    3     1 S   H    _H1_     3     1.02776    99.21543  -104.45055
    4     1 S   H    _H2_     4     1.02957    81.06339     2.83352
    5     1 S   CT   _CA1     5     1.50141   139.68786   113.92601
    6     5 S   HC   _HA1     6     1.09575   105.20090    77.09649
    7     5 S   CO3  _C1_     7     1.53779   112.32246   -43.06937
    8     7 S   O2Z  _O11     8     1.26369   114.99084   -44.39293
    9     7 S   O2Z  _O12     9     1.26230   114.92801   134.59671
   10     5 S   CT   _CB1    10     1.53086   107.41024  -165.01658
   11    10 S   HC   HB11    11     1.09829   109.31558   -50.36209
   12    10 S   HC   HB12    12     1.09815   110.44136    66.18713
   13    10 S   CT   _CG1    13     1.53028   112.68483  -171.41428
   14    13 S   HC   HG11    14     1.09592   110.51648   -64.87223
   15    13 S   HC   HG12    15     1.09658   109.89891    54.33899
   16    13 S   C    _CD1    16     1.51845   112.25608   174.70243
   17    16 S   O    _OE1    17     1.22766   123.25818     1.89816
   18    16 S   N    _N2_    18     1.38532   111.75838  -178.09053
   19    18 S   H    _HN2    19     1.01562   119.20011     3.61303
   20    18 S   CT1  _CA2    20     1.45846   122.81944   178.10721
   21    20 S   HC   _HA2    21     1.09718   108.82245    26.01586
   22    20 S   C    _C2_    22     1.52845   106.78330   -91.19201
   23    22 S   O    _O2_    23     1.23012   122.91051   -31.32118
   24    20 S   CT   _CB2    32     1.53163   112.31642   149.22708
   25    24 S   HC   HB21    33     1.09537   110.07478    54.40717
   26    24 S   HC   HB22    34     1.09386   109.66328   172.98843
   27    22 S   N    _N3_    24     1.38498   112.71931   151.16775
   28    27 S   H    _HN3    25     1.01645   120.33343    -0.59938
   29    24 S   S    _SG2    35     1.82906   110.56605   -66.16916
   30    27 S   CT   _CA3    26     1.45348   122.33913   178.74727
   31    30 S   HC   HA31    27     1.09566   107.31950   -66.52084
   32    30 S   HC   HA32    28     1.09572   108.07639    49.76422
   33    29 S   CT   _C17    36     1.84975   100.87160  -174.23078
   34    33 S   OM   _O34    37     1.32165   109.66215  -174.10698
   35    30 S   CO3  _C3_    29     1.52854   114.55700   171.85418
   36    35 S   O2Z  _O31    30     1.26296   116.16803    -2.93412
   37    35 S   O2Z  _O32    31     1.26467   114.36504   177.20992
   38    33 S   CO4  _C16    38     1.53091   106.60455   -62.71160
   39    38 S   O    _O33    39     1.23333   123.42553   -51.04076
   40    33 S   CM   _C8_    52     1.52795   111.77004    64.99110
   41    38 S   CA   _C15    40     1.47458   118.15638   128.14373
   42    40 S   CT   _C7_    53     1.55408   115.85975    57.17685
   43    42 S   HC   _H7_    54     1.09274   110.42283    25.84053
   44    42 S   HC   _H8_    55     1.09846   109.61720   139.21159
   45    41 S   CA   _C14    41     1.40911   117.74037   178.44896
   46    45 S   HA   _H12    42     1.08741   121.02904    -0.43115
   47    42 S   CM   _C6_    56     1.51010   113.18981  -100.55692
   48    47 S   HC   _H6_    57     1.08983   114.04063   -56.70609
   49    45 S   CA   _C13    43     1.39019   120.70819   179.60140
   50    49 S   HA   _H11    44     1.08550   120.28973   179.96574
   51    47 S   CM   _C5_    58     1.34741   128.60813   124.28807
   52    49 S   CA   _C12    45     1.38506   119.31514    -0.03956
   53    52 S   HA   _H10    46     1.08597   120.25334  -180.00000
   54    51 S   CT   _C4_    59     1.50610   120.19026   179.89721
   55    54 S   HC   _H3_    60     1.09496   110.24032   119.03676
   56    54 S   HC   _H4_    61     1.09475   112.37207    -1.10977
   57    54 S   HC   _H5_    62     1.09492   110.27655  -121.10513
   58    51 S   CT   _C18    63     1.50218   125.63345    -0.26020
   59    58 S   HC   _H13    64     1.09521   109.98911   120.78499
   60    58 S   HC   _H14    65     1.09525   110.02112  -120.08899
   61    58 S   HC   _H15    66     1.09129   113.83286     0.46436
   62    52 S   CA   _C11    47     1.39847   119.83680     0.01978
   63    62 S   HA   _H9_    48     1.08881   116.62749  -180.00000
   64    41 S   CA   _C10    49     1.39929   120.79091    -1.97932
   65    64 S   CMA  _C9_    50     1.51797   123.92690     0.38563
   66    65 S   OM   _O35    51     1.27137   118.46964   179.95154
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  13   6   2   1   1  10   4  11  10  10   5   4   8   4  11   3
   6   3   8   5   3   7   3   2   1   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    65    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    45    64    65    66    40    42    43    44    47  
   38    39    41    65    40    42  
   36    37  
   37  
    0  
   39    41    45    46    49    62    64    65    40    42  
   41    45    64    40  
   42    43    44    47    48    51    41    62    64    65    66  
   45    46    49    50    52    62    63    64    65    66  
   43    44    47    48    51    54    58    64    65    66  
   44    47    48    51    65  
   47    48    51    65  
   46    49    50    52    53    62    64    65  
   49    50    52    64  
   48    51    54    55    56    57    58    59    60    61    65  
   51    54    58  
   50    52    53    62    63    64  
   52    53    62  
   54    55    56    57    58    59    60    61  
   53    62    63    64    65  
   62    63    64  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66  
   64    65  
   65    66  
   66  
    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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    40   317.000  1.510
   38    39   570.000  1.229
   38    41   310.000  1.470
   41    45   469.000  1.400
   41    64   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    53   367.000  1.080
   52    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   320.000  1.460
   65    66   745.000  1.250
   65    40   465.000  1.376
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    54   317.000  1.510
   51    58   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    41    65.00000  115.47100
   33    40    65    70.00000  124.00000
   33    40    42    65.00000  117.92700
   38    33    34    90.00000  108.74100
   38    41    45    60.00000  119.52600
   38    41    64    60.00000  119.52600
   41    38    39    75.00000  123.78400
   41    45    46    35.00000  120.00000
   41    45    49    63.00000  120.00000
   41    64    62    63.00000  120.00000
   41    64    65    60.00000  120.93500
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    62    63.00000  120.00000
   52    49    50    35.00000  120.00000
   52    62    63    35.00000  120.00000
   52    62    64    63.00000  120.00000
   62    52    53    35.00000  120.00000
   62    64    65    60.00000  120.93500
   64    41    45    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    85.00000  114.86500
   64    65    40    60.00000  123.20500
   65    40    42    70.00000  124.00000
   40    33    34    85.00000  110.90400
   40    33    38    70.00000  109.06800
   40    65    66    65.00000  137.10300
   40    42    43    35.00000  109.50000
   40    42    44    35.00000  109.50000
   40    42    47    70.00000  110.12100
   42    47    48    35.00000  117.00000
   42    47    51    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    51    54    70.00000  124.00000
   47    51    58    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    51    54    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    41   0.65300  1.0 1.0
   29    33    38    41  -0.03850 -1.0 2.0
   29    33    38    41   0.33900  1.0 3.0
   29    33    40    65   0.42700  1.0 1.0
   29    33    40    65  -0.70350 -1.0 2.0
   29    33    40    65  -0.43150  1.0 3.0
   29    33    40    42   0.30250  1.0 1.0
   29    33    40    42  -0.14950 -1.0 2.0
   29    33    40    42   0.36900  1.0 3.0
   33    38    41    45   2.26350  1.0 1.0
   33    38    41    45   0.76750 -1.0 2.0
   33    38    41    45   0.22500  1.0 3.0
   33    38    41    64   2.26350  1.0 1.0
   33    38    41    64   0.76750 -1.0 2.0
   33    38    41    64   0.22500  1.0 3.0
   33    40    42    43   0.34800  1.0 3.0
   33    40    42    44   0.34800  1.0 3.0
   33    40    42    47   0.09700  1.0 1.0
   33    40    42    47   0.15600 -1.0 2.0
   33    40    42    47  -0.50800  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    41   0.65300  1.0 1.0
   34    33    38    41  -0.03850 -1.0 2.0
   34    33    38    41   0.33900  1.0 3.0
   34    33    40    65   0.39000  1.0 1.0
   34    33    40    65  -0.05800 -1.0 2.0
   34    33    40    65  -0.55150  1.0 3.0
   34    33    40    42   0.09700  1.0 1.0
   34    33    40    42   0.15600 -1.0 2.0
   34    33    40    42  -0.50800  1.0 3.0
   38    33    40    65  -0.51250  1.0 1.0
   38    33    40    65  -0.88800 -1.0 2.0
   38    33    40    65   0.08850  1.0 3.0
   38    33    40    42   0.17250  1.0 1.0
   38    33    40    42  -0.04100 -1.0 2.0
   38    33    40    42  -0.33850  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    49   3.62500 -1.0 2.0
   38    41    64    62   3.62500 -1.0 2.0
   38    41   -64    65   3.62500 -1.0 2.0
   39    38    41    45   1.05000 -1.0 2.0
   39    38    41    64   1.05000 -1.0 2.0
   41    45    49    50   3.62500 -1.0 2.0
   41    45    49    52   3.62500 -1.0 2.0
   41    64    65    66  -0.01750  1.0 1.0
   41    64    65    66  -0.32000 -1.0 2.0
   41    64    65    66   0.00600  1.0 3.0
   41    64    65    40   0.15800  1.0 1.0
   41    64    65    40   1.85350 -1.0 2.0
   41    64    65    40  -0.48700  1.0 3.0
   45    41    64    62   3.62500 -1.0 2.0
   45    41    64    65   3.62500 -1.0 2.0
   45    49    52    53   3.62500 -1.0 2.0
   45    49   -52    62   3.62500 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    52   3.62500 -1.0 2.0
   49    52    62    63   3.62500 -1.0 2.0
   49    52    62    64   3.62500 -1.0 2.0
   50    49    52    53   3.62500 -1.0 2.0
   50    49    52    62   3.62500 -1.0 2.0
   52    62   -64    41   3.62500 -1.0 2.0
   52    62    64    65   3.62500 -1.0 2.0
   53    52    62    63   3.62500 -1.0 2.0
   53    52    62    64   3.62500 -1.0 2.0
   62    64    65    66  -0.01750  1.0 1.0
   62    64    65    66  -0.32000 -1.0 2.0
   62    64    65    66   0.00600  1.0 3.0
   62    64    65    40   0.15800  1.0 1.0
   62    64    65    40   1.85350 -1.0 2.0
   62    64    65    40  -0.48700  1.0 3.0
   63    62    64    41   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    41    45    46   3.62500 -1.0 2.0
   64    41   -45    49   3.62500 -1.0 2.0
   64    65   -40    33   7.00000 -1.0 2.0
   64    65    40    42   7.00000 -1.0 2.0
   65    40    42    43   0.00000  1.0 1.0
   65    40    42    44   0.00000  1.0 1.0
   65    40    42    47  -0.28300  1.0 1.0
   65    40    42    47   0.26700 -1.0 2.0
   65    40    42    47  -0.63300  1.0 3.0
   66    65    40    33   7.00000 -1.0 2.0
   66    65    40    42   7.00000 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    41   0.65300  1.0 1.0
   40    33   -38    41  -0.03850 -1.0 2.0
   40    33   -38    41   0.33900  1.0 3.0
   40    42    47    48   0.00000  1.0 1.0
   40    42    47    51  -0.28300  1.0 1.0
   40    42    47    51   0.26700 -1.0 2.0
   40    42    47    51  -0.63300  1.0 3.0
   42    47    51    54   7.00000 -1.0 2.0
   42    47    51    58   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    51   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    51   0.00000  1.0 1.0
   47    51    54    55   0.00000  1.0 1.0
   47    51    54    56   0.00000  1.0 1.0
   47    51    54    57   0.00000  1.0 1.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    60   0.00000  1.0 1.0
   47    51    58    61   0.00000  1.0 1.0
   48    47    51    54   7.00000 -1.0 2.0
   48    47    51    58   7.00000 -1.0 2.0
   54    51    58    59   0.34800  1.0 3.0
   54    51    58    60   0.34800  1.0 3.0
   54    51    58    61   0.34800  1.0 3.0
   58    51    54    55   0.34800  1.0 3.0
   58    51    54    56   0.34800  1.0 3.0
   58    51    54    57   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   45    64    41    38   4.00000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   62    53    52    49   1.10000 -1.0 2.0
   64    63    62    52   1.10000 -1.0 2.0
   62    65    64    41   4.00000 -1.0 2.0
   64    66    65    40   1.10000 -1.0 2.0
   33    42    40    65   1.10000 -1.0 2.0
   42    48    47    51  15.00000 -1.0 2.0
   54    58    51    47  15.00000 -1.0 2.0
END
