* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    125    191     362
    1     0 S   NP   _N1_     1    28.73231    94.39867   -21.05179
    2     1 S   H    _HN1     2     1.02964    92.75151    25.07488
    3     1 S   H    _H1_     3     1.02836    30.02943   145.19598
    4     1 S   H    _H2_     4     1.02774    88.37801   -83.21998
    5     1 S   CT   _CA1     5     1.50102   140.60602   152.51914
    6     5 S   HC   _HA1     6     1.09570   105.28226    55.23926
    7     5 S   CO3  _C1_     7     1.53813   112.43794   -65.09684
    8     7 S   O2Z  _O11     8     1.26345   115.02698   -41.58352
    9     7 S   O2Z  _O12     9     1.26199   114.90960   137.66168
   10     5 S   CT   _CB1    10     1.53082   107.46044   173.33058
   11    10 S   HC   HB11    11     1.09818   109.55092   -49.55882
   12    10 S   HC   HB12    12     1.09825   110.30447    67.07133
   13    10 S   CT   _CG1    13     1.52951   112.59170  -170.63204
   14    13 S   HC   HG11    14     1.09571   110.34309   -60.73844
   15    13 S   HC   HG12    15     1.09623   110.09485    58.51743
   16    13 S   C    _CD1    16     1.51764   112.33088   179.06497
   17    16 S   O    _OE1    17     1.22698   123.35790    -5.47311
   18    16 S   N    _N2_    18     1.38575   111.48051   174.41037
   19    18 S   H    _HN2    19     1.01476   118.74721     3.58561
   20    18 S   CT1  _CA2    20     1.46204   123.62130  -176.38535
   21    20 S   HC   _HA2    21     1.09721   109.29165   -18.37229
   22    20 S   C    _C2_    22     1.53384   108.09754  -134.25751
   23    22 S   O    _O2_    23     1.22998   122.26393  -145.71528
   24    20 S   CT   _CB2    32     1.53538   111.44672   103.85945
   25    24 S   HC   HB21    33     1.09566   109.77683    55.84673
   26    24 S   HC   HB22    34     1.09531   110.52875   174.22694
   27    22 S   N    _N3_    24     1.38509   113.31761    41.42967
   28    27 S   H    _HN3    25     1.01538   118.93625    -0.16193
   29    24 S   S    _SG2    35     1.82884   111.82025   -65.85977
   30    27 S   CT   _CA3    26     1.45447   123.42197   175.32349
   31    30 S   HC   HA31    27     1.09525   109.18822    24.99524
   32    30 S   HC   HA32    28     1.09494   107.11850   142.00568
   33    29 S   CA   _C16    36     1.79618    99.56035   168.71018
   34    30 S   CO3  _C3_    29     1.52940   113.18627   -98.43978
   35    34 S   O2Z  _O31    30     1.26398   115.45496   -42.62706
   36    34 S   O2Z  _O32    31     1.26362   114.94738   138.29844
   37    33 S   CA   _C11    37     1.40753   121.04248   -83.40717
   38    37 S   CA   _C12    38     1.39926   121.52712   179.37286
   39    38 S   HA   _H8_    39     1.08808   120.30250  -179.16397
   40    37 S   NIX  _N6_    53     1.45268   121.44500    -0.29608
   41    40 S   ONX  _O39    54     1.27699   118.74116   -67.50174
   42    38 S   CA   _C13    40     1.39734   118.97115     0.47765
   43    40 S   NN   _N5_    55     1.27566   114.48538   113.22348
   44    42 S   CA   _C14    41     1.40405   122.85400     1.28314
   45    42 S   NO2  _N8_    50     1.44686   116.50408  -178.10690
   46    45 S   ON   _O38    51     1.23745   117.02209   112.14110
   47    45 S   ON   _O37    52     1.23738   116.92807   -67.20131
   48    43 S   CA   _C8_    56     1.40660   118.62225   179.95577
   49    33 S   CA   _C15    42     1.41466   121.89583    97.14073
   50    44 S   CT   _C17    46     1.50666   121.85467  -179.85873
   51    50 S   HC   _H9_    47     1.09440   109.90806    90.16290
   52    50 S   HC   _H10    48     1.09418   111.92206  -148.69383
   53    50 S   HC   _H11    49     1.09462   111.73663   -30.85194
   54    48 S   CA   _C7_    57     1.39911   121.73536   -69.27868
   55    54 S   HA   _H6_    58     1.08811   119.61469     2.32237
   56    49 S   NO2  _N7_    43     1.44914   118.60634    -1.09504
   57    56 S   ON   _O36    44     1.23754   116.92607    86.72921
   58    56 S   ON   _O35    45     1.23751   116.79390   -93.92700
   59    54 S   CA   _C6_    59     1.40391   119.78715  -178.06003
   60    59 S   CA   _C5_    60     1.40498   122.92783     1.44130
   61    59 S   NO2  _N9_    71     1.44801   116.48633  -179.03531
   62    61 S   ON   _O41    72     1.23712   117.32355   116.43698
   63    61 S   ON   _O40    73     1.23797   116.84156   -63.09067
   64    60 S   CA   _C10    61     1.40397   115.33348    -2.15431
   65    60 S   CT   _C4_    67     1.50372   122.41934   179.15814
   66    65 S   HC   _H3_    68     1.09390   110.22071    87.63403
   67    65 S   HC   _H4_    69     1.09460   111.75006  -151.32356
   68    65 S   HC   _H5_    70     1.09476   111.49665   -33.55067
   69    48 S   CA   _C9_    62     1.39634   119.19838   113.52586
   70    69 S   HA   _H7_    63     1.08749   119.55232    -1.66036
   71    64 S   NO2  _N4_    64     1.44503   120.50389  -177.44304
   72    71 S   ON   _O34    65     1.23737   116.87318  -108.72138
   73    71 S   ON   _O33    66     1.23724   117.03423    72.10965
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  13   2   1   1  11  11   4   7   2  10   7  11   4   1   1   9
   7   4   2   1   1  10   4   2   1   1  11  13   4   1   1   9
   5   2   1   1   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    49    56    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    44    49    56    57    58    50    40    41    43  
   35    36  
   36  
    0  
   38    39    42    44    49    56    45    40    41    43    48  
   39    42    44    49    50    45    46    47    40    41    43  
   42    44    45    40  
   41    43    48    54    69    42    49  
   43    48  
   44    49    56    50    51    52    53    45    46    47  
   48    54    55    59    64    69    70  
   49    56    57    58    50    51    52    53    45    46    47  
   46    47    49    50  
   47  
    0  
   54    55    59    60    64    69    70    71    61  
   56    57    58    50    51    52    53  
   51    52    53    56  
   52    53  
   53  
    0  
   55    59    60    64    69    70    65    61    62    63  
   59    60    69    61  
   57    58  
   58  
    0  
   60    64    69    71    65    66    67    68    61    62    63  
   64    69    70    71    72    73    65    66    67    68    61    62    63  
   62    63    64    65  
   63  
    0  
   69    70    71    72    73    65    66    67    68  
   66    67    68    69    71  
   67    68  
   68  
    0  
   70    71    72    73  
   71  
   72    73  
   73  
    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  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.2500   0.1200   0.977500   1.9050   1.6860   0.051222218  -2.220205820
   41   2.9600   0.1700  -1.100000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.2500   0.1700  -0.030800   1.8375   1.6250   0.005000000   0.000000000
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   46   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   47   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   48   3.5500   0.0700   0.030800   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   57   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   58   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   59   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   62   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   63   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   64   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   72   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   73   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   250.000  1.760
   33    37   469.000  1.400
   33    49   469.000  1.400
   37    38   469.000  1.400
   37    40   315.000  1.443
   38    39   367.000  1.080
   38    42   469.000  1.400
   42    44   469.000  1.400
   42    45   400.000  1.460
   44    49   469.000  1.400
   44    50   317.000  1.510
   49    56   400.000  1.460
   56    57   550.000  1.225
   56    58   550.000  1.225
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   45    46   550.000  1.225
   45    47   550.000  1.225
   40    41   635.000  1.253
   40    43   470.000  1.272
   43    48   370.000  1.400
   48    54   469.000  1.400
   48    69   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   469.000  1.400
   59    61   400.000  1.460
   60    64   469.000  1.400
   60    65   317.000  1.510
   64    69   469.000  1.400
   64    71   400.000  1.460
   69    70   367.000  1.080
   71    72   550.000  1.225
   71    73   550.000  1.225
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   61    62   550.000  1.225
   61    63   550.000  1.225
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    49    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    70.00000  116.91600
   33    49    44    63.00000  120.00000
   33    49    56    85.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    42    63.00000  120.00000
   37    40    41    90.00000  120.88000
   37    40    43    85.00000  116.84000
   38    42    44    63.00000  120.00000
   38    42    45    85.00000  120.00000
   42    38    39    35.00000  120.00000
   42    44    49    63.00000  120.00000
   42    44    50    70.00000  120.00000
   42    45    46    80.00000  117.50000
   42    45    47    80.00000  117.50000
   44    49    56    85.00000  120.00000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   49    33    37    63.00000  120.00000
   49    56    57    80.00000  117.50000
   49    56    58    80.00000  117.50000
   58    56    57    80.00000  125.30000
   50    44    49    70.00000  120.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   45    42    44    85.00000  120.00000
   47    45    46    80.00000  125.30000
   40    37    38    70.00000  116.91600
   40    43    48    80.00000  114.00000
   43    40    41   100.00000  126.35300
   43    48    54    70.00000  119.16000
   43    48    69    70.00000  119.16000
   48    54    55    35.00000  120.00000
   48    54    59    63.00000  120.00000
   48    69    64    63.00000  120.00000
   48    69    70    35.00000  120.00000
   54    59    60    63.00000  120.00000
   54    59    61    85.00000  120.00000
   59    54    55    35.00000  120.00000
   59    60    64    63.00000  120.00000
   59    60    65    70.00000  120.00000
   59    61    62    80.00000  117.50000
   59    61    63    80.00000  117.50000
   60    64    69    63.00000  120.00000
   60    64    71    85.00000  120.00000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   64    69    70    35.00000  120.00000
   64    71    72    80.00000  117.50000
   64    71    73    80.00000  117.50000
   69    48    54    63.00000  120.00000
   71    64    69    85.00000  120.00000
   73    71    72    80.00000  125.30000
   65    60    64    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   61    59    60    85.00000  120.00000
   63    61    62    80.00000  125.30000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.63250 -1.0 2.0
   24    29    33    49   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    49    44   3.62500 -1.0 2.0
   29    33    49    56   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    42   3.62500 -1.0 2.0
   33    37    40    41   0.25000 -1.0 2.0
   33    37    40    43   0.25000 -1.0 2.0
   33    49    56    57   0.69950 -1.0 2.0
   33    49    56    58   0.69950 -1.0 2.0
   37    33    49    44   3.62500 -1.0 2.0
   37    33    49    56   3.62500 -1.0 2.0
   37    38   -42    44   3.62500 -1.0 2.0
   37    38    42    45   3.62500 -1.0 2.0
   37    40    43    48   2.00000 -1.0 2.0
   38    37    40    41   0.25000 -1.0 2.0
   38    37    40    43   0.25000 -1.0 2.0
   38    42    44    49   3.62500 -1.0 2.0
   38    42    44    50   3.62500 -1.0 2.0
   38    42    45    46   0.69950 -1.0 2.0
   38    42    45    47   0.69950 -1.0 2.0
   39    38    42    44   3.62500 -1.0 2.0
   39    38    42    45   3.62500 -1.0 2.0
   42    44   -49    33   3.62500 -1.0 2.0
   42    44    49    56   3.62500 -1.0 2.0
   42    44    50    51   0.00000  1.0 1.0
   42    44    50    52   0.00000  1.0 1.0
   42    44    50    53   0.00000  1.0 1.0
   44    42    45    46   0.69950 -1.0 2.0
   44    42    45    47   0.69950 -1.0 2.0
   44    49    56    57   0.69950 -1.0 2.0
   44    49    56    58   0.69950 -1.0 2.0
   49    33   -37    38   3.62500 -1.0 2.0
   49    33    37    40   3.62500 -1.0 2.0
   49    44    50    51   0.00000  1.0 1.0
   49    44    50    52   0.00000  1.0 1.0
   49    44    50    53   0.00000  1.0 1.0
   50    44    49    33   3.62500 -1.0 2.0
   50    44    49    56   3.62500 -1.0 2.0
   45    42    44    49   3.62500 -1.0 2.0
   45    42    44    50   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    42   3.62500 -1.0 2.0
   40    43    48    54   1.25000 -1.0 2.0
   40    43    48    69   1.25000 -1.0 2.0
   41    40    43    48   2.00000 -1.0 2.0
   43    48    54    55   3.62500 -1.0 2.0
   43    48    54    59   3.62500 -1.0 2.0
   43    48    69    64   3.62500 -1.0 2.0
   43    48    69    70   3.62500 -1.0 2.0
   48    54    59    60   3.62500 -1.0 2.0
   48    54    59    61   3.62500 -1.0 2.0
   54    48    69    64   3.62500 -1.0 2.0
   54    48    69    70   3.62500 -1.0 2.0
   54    59   -60    64   3.62500 -1.0 2.0
   54    59    60    65   3.62500 -1.0 2.0
   54    59    61    62   0.69950 -1.0 2.0
   54    59    61    63   0.69950 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    61   3.62500 -1.0 2.0
   59    60    64    69   3.62500 -1.0 2.0
   59    60    64    71   3.62500 -1.0 2.0
   59    60    65    66   0.00000  1.0 1.0
   59    60    65    67   0.00000  1.0 1.0
   59    60    65    68   0.00000  1.0 1.0
   60    59    61    62   0.69950 -1.0 2.0
   60    59    61    63   0.69950 -1.0 2.0
   60    64   -69    48   3.62500 -1.0 2.0
   60    64    69    70   3.62500 -1.0 2.0
   60    64    71    72   0.69950 -1.0 2.0
   60    64    71    73   0.69950 -1.0 2.0
   64    60    65    66   0.00000  1.0 1.0
   64    60    65    67   0.00000  1.0 1.0
   64    60    65    68   0.00000  1.0 1.0
   69    48    54    55   3.62500 -1.0 2.0
   69    48   -54    59   3.62500 -1.0 2.0
   69    64    71    72   0.69950 -1.0 2.0
   69    64    71    73   0.69950 -1.0 2.0
   71    64    69    48   3.62500 -1.0 2.0
   71    64    69    70   3.62500 -1.0 2.0
   65    60    64    69   3.62500 -1.0 2.0
   65    60    64    71   3.62500 -1.0 2.0
   61    59    60    64   3.62500 -1.0 2.0
   61    59    60    65   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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   44    45    42    38   4.00000 -1.0 2.0
   49    50    44    42   4.00000 -1.0 2.0
   44    56    49    33   4.00000 -1.0 2.0
   57    49    56    58  10.50000 -1.0 2.0
   46    42    45    47  10.50000 -1.0 2.0
   54    69    48    43   4.00000 -1.0 2.0
   59    55    54    48   1.10000 -1.0 2.0
   60    61    59    54   4.00000 -1.0 2.0
   64    65    60    59   4.00000 -1.0 2.0
   69    71    64    60   4.00000 -1.0 2.0
   64    70    69    48   1.10000 -1.0 2.0
   72    64    71    73  10.50000 -1.0 2.0
   62    59    61    63  10.50000 -1.0 2.0
END
