* LIGAND DATABASE FILE (OPLS2005)
*
001      65    65    115    180     346
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02029    92.04249    37.00420
    3     1 S   H    _H1_     3     1.02074    32.99883   159.21782
    4     1 S   H    _H2_     4     1.02080    88.40409   -71.68371
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C10    36     1.83741    98.14742  -178.21392
   34    33 S   HC   _H3_    37     1.09922   105.92382   -36.19272
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C5_    38     1.50257   107.35449    79.97273
   39    38 S   HC   _H20    39     1.08670   117.96221   -73.85286
   40    38 S   CM   _C4_    40     1.34066   123.24087   107.01609
   41    40 S   HC   _H19    41     1.08679   118.66723   178.66338
   42    40 S   CT   _C9_    42     1.50040   123.79671    -0.65849
   43    42 S   HC   _H21    43     1.09667   107.61964   116.14029
   44    42 S   CT   _C12    44     1.54281   114.48343    -7.67102
   45    44 S   HC   _H24    45     1.09604   110.50988   -88.67279
   46    42 S   OH   _O17    64     1.42936   107.57346  -128.94575
   47    46 S   HO   _H31    65     0.96863   106.30619   -59.97496
   48    33 S   CT   _C11    46     1.54578   114.27960  -155.61754
   49    48 S   HC   _H23    47     1.09863   107.51168   165.21382
   50    44 S   C    _C7_    60     1.50509   107.76630   155.75314
   51    50 S   O    _O13    61     1.22181   125.06739   -91.56020
   52    48 S   CO4  _C6_    48     1.50479   111.20014    50.66676
   53    52 S   O    _O33    49     1.22999   120.99749   -94.06064
   54    50 S   OH   _O15    62     1.35604   110.67768    88.56442
   55    54 S   HO   _H29    63     0.98043   111.92739   179.85329
   56    52 S   CT   _C13    50     1.51804   116.10724    86.04676
   57    56 S   HC   _H25    51     1.09541   108.04183   -60.03209
   58    56 S   HC   _H26    52     1.09594   107.99529    56.72797
   59    56 S   CT   _C14    53     1.52573   112.51840   178.33211
   60    59 S   HC   _H27    54     1.09535   109.74191    60.02873
   61    59 S   HC   _H28    55     1.09625   109.71932   -59.34402
   62    59 S   C    _C8_    56     1.51036   111.92492  -179.68286
   63    62 S   O    _O14    57     1.22320   125.47385    -1.17069
   64    62 S   OH   _O16    58     1.35869   111.40711   178.87430
   65    64 S   HO   _H30    59     0.98175   114.95476  -180.00000
  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   9   5   4   3
  14   7   2   1   1  10   4   9   4  11   6  12   7   3   1  10
   4   4   2   8   4   1   1   8   5   4   6   4   3   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    48    49    52    53    56    50  
   38    39    40    44    48    49    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    49    52    46  
   40    41    42    48  
   41    42    43    44    45    48    50    46    47  
   42    43    44    46  
   43    44    45    48    49    52    50    51    54    46    47  
   44    45    48    50    46    47  
   45    48    49    52    53    56    50    51    54    55    46    47  
   48    49    52    50    51    54    46  
   47    48    50  
    0  
   49    52    53    56    57    58    59    50    51    54  
   52    53    56    50  
   51    54    55    52  
   54    55  
   53    56    57    58    59    60    61    62  
   56    57    58    59  
   55  
    0  
   57    58    59    60    61    62    63    64  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65  
   61    62    63    64  
   62    63    64  
   63    64    65  
   64    65  
   65  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   64   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   317.000  1.522
   48    49   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    56   317.000  1.522
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.522
   62    63   570.000  1.229
   62    64   450.000  1.364
   64    65   553.000  0.945
   50    51   570.000  1.229
   50    54   450.000  1.364
   54    55   553.000  0.945
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    44    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    52    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    44    50    63.00000  111.10000
   42    46    47    55.00000  108.50000
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    52    63.00000  111.10000
   44    50    51    80.00000  120.40000
   44    50    54    70.00000  108.00000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    52    53    80.00000  120.40000
   48    52    56    70.00000  116.00000
   52    48    49    35.00000  109.50000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    63.00000  111.10000
   56    52    53    80.00000  120.40000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    64    70.00000  108.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  113.00000
   64    62    63   100.00000  123.32000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  111.10000
   50    54    55    35.00000  113.00000
   54    50    51   100.00000  123.32000
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    44   0.44750  1.0 1.0
   29    33    48    44  -0.17800 -1.0 2.0
   29    33    48    44   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    52    53   0.30150 -1.0 2.0
   33    48    52    56   0.60050  1.0 1.0
   33    48    52    56   0.05600 -1.0 2.0
   33    48    52    56   0.26150  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    52  -0.11250  1.0 3.0
   38    33    48    44   0.34400  1.0 1.0
   38    33    48    44   0.09450 -1.0 2.0
   38    33    48    44   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    52  -0.98800  1.0 1.0
   38    33    48    52   0.48800 -1.0 2.0
   38    33    48    52   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.67800  1.0 1.0
   38    40    42    46   0.47050 -1.0 2.0
   38    40    42    46  -0.62500  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    48   0.34400  1.0 1.0
   40    42    44    48   0.09450 -1.0 2.0
   40    42    44    48   0.11100  1.0 3.0
   40    42    44    50  -0.98800  1.0 1.0
   40    42    44    50   0.48800 -1.0 2.0
   40    42    44    50   0.76800  1.0 3.0
   40    42    46    47  -0.07800  1.0 1.0
   40    42    46    47  -0.21500 -1.0 2.0
   40    42    46    47  -0.03150  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -48    33   0.56750  1.0 1.0
   42    44   -48    33  -0.07550 -1.0 2.0
   42    44   -48    33   0.20000  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    52  -0.95700  1.0 1.0
   42    44    48    52  -0.18200 -1.0 2.0
   42    44    48    52   0.29450  1.0 3.0
   42    44    50    51   0.30150 -1.0 2.0
   42    44    50    54   0.50000  1.0 1.0
   42    44    50    54   0.27300 -1.0 2.0
   42    44    50    54   0.22500  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    44    50  -0.11250  1.0 3.0
   43    42    46    47   0.19450  1.0 3.0
   44    42    46    47  -0.11600  1.0 1.0
   44    42    46    47  -0.09450 -1.0 2.0
   44    42    46    47   0.21250  1.0 3.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    56   0.60050  1.0 1.0
   44    48    52    56   0.05600 -1.0 2.0
   44    48    52    56   0.26150  1.0 3.0
   44    50    54    55   1.50000  1.0 1.0
   44    50    54    55   2.45000 -1.0 2.0
   45    44    48    33   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52  -0.11250  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    54   0.00000  1.0 1.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    54   0.50000  1.0 1.0
   48    44    50    54   0.27300 -1.0 2.0
   48    44    50    54   0.22500  1.0 3.0
   48    52    56    57   0.00000  1.0 1.0
   48    52    56    58   0.00000  1.0 1.0
   48    52    56    59   0.60050  1.0 1.0
   48    52    56    59   0.05600 -1.0 2.0
   48    52    56    59   0.26150  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   52    56    59    60  -0.11250  1.0 3.0
   52    56    59    61  -0.11250  1.0 3.0
   52    56    59    62   0.11950  1.0 1.0
   52    56    59    62   0.20300 -1.0 2.0
   52    56    59    62  -0.70800  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    58   0.00000  1.0 1.0
   53    52    56    59   0.30150 -1.0 2.0
   56    59    62    63   0.30150 -1.0 2.0
   56    59    62    64   0.50000  1.0 1.0
   56    59    62    64   0.27300 -1.0 2.0
   56    59    62    64   0.22500  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62  -0.11250  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62  -0.11250  1.0 3.0
   59    62    64    65   1.50000  1.0 1.0
   59    62    64    65   2.45000 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64   0.00000  1.0 1.0
   63    62    64    65   0.92200  1.0 1.0
   63    62    64    65   3.74100 -1.0 2.0
   50    44    48    33  -0.95700  1.0 1.0
   50    44    48    33  -0.18200 -1.0 2.0
   50    44    48    33   0.29450  1.0 3.0
   50    44    48    49  -0.11250  1.0 3.0
   50    44    48    52   0.11950  1.0 1.0
   50    44    48    52   0.20300 -1.0 2.0
   50    44    48    52  -0.70800  1.0 3.0
   51    50    54    55   0.92200  1.0 1.0
   51    50    54    55   3.74100 -1.0 2.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    48   0.86500  1.0 1.0
   46    42    44    48  -0.17500 -1.0 2.0
   46    42    44    48   0.20800  1.0 3.0
   46    42    44    50  -0.09450  1.0 1.0
   46    42    44    50  -1.12950 -1.0 2.0
   46    42    44    50   0.54000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   44    54    50    51  10.50000 -1.0 2.0
END
