* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    140    223     414
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    42.32325   112.93701
    3     1 S   H    _H1_     3     1.02110    71.06815   -95.61895
    4     1 S   H    _H2_     4     1.02079   103.47577     9.81133
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   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   _C19    36     1.82809    97.95279   161.85701
   34    33 S   HC   _H3_    37     1.10027   103.14683    44.37763
   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   CT   _C16    38     1.55041   114.96890   160.03154
   39    38 S   HC   _H35    39     1.09708   109.88343   -79.14387
   40    33 S   CT   _C17    50     1.57084   120.23664   -73.01732
   41    40 S   OM   _O19    51     1.31745   114.74613    -9.51560
   42    40 S   HC   _H36    52     1.10461   104.03313   120.32891
   43    38 S   CT   _C14    40     1.54190   116.11833    45.93159
   44    43 S   HC   _H32    41     1.09816   109.55222   179.55633
   45    43 S   HC   _H33    42     1.09605   110.89232   -66.30081
   46    43 S   CT   _C18    43     1.53175   113.35270    57.16289
   47    46 S   HC   _H37    44     1.09499   109.34643   -84.16272
   48    46 S   CT   _C13    45     1.53266   112.44896    37.29005
   49    48 S   HC   _H30    46     1.09790   109.15723  -161.81001
   50    48 S   HC   _H31    47     1.09789   109.67655    84.92980
   51    46 S   OS   _O21    58     1.42417   110.11784   159.20113
   52    48 S   CT   _C15    48     1.54871   113.29004   -38.13734
   53    52 S   HC   _H34    49     1.09730   109.19728   178.23464
   54    51 S   CO4  _C12    59     1.36450   115.91622    88.42605
   55    54 S   O    _O20    60     1.22235   125.72616     0.05234
   56    38 S   NT   _N18    53     1.47245    98.58438   165.02160
   57    54 S   CM   _C11    61     1.49195   109.78575   179.27100
   58    56 S   CT   _C20    54     1.45033   116.42132   176.97962
   59    58 S   HC   _H39    55     1.09325   110.06834   -57.15209
   60    58 S   HC   _H40    56     1.09311   110.23167  -177.13980
   61    58 S   HC   _H41    57     1.09369   110.21601    62.79545
   62    57 S   CA   _C9_    62     1.47379   123.07953     0.71518
   63    57 S   CM   _C10    73     1.34238   117.18482   179.69804
   64    63 S   HC   _H28    74     1.08597   121.53573     1.01394
   65    63 S   HC   _H29    75     1.08497   122.37052  -178.99595
   66    62 S   CA   _C7_    63     1.39495   119.90710    88.91833
   67    66 S   HA   _H26    64     1.08669   120.93695    -0.03956
   68    66 S   CA   _C5_    65     1.39561   119.94247  -179.93744
   69    68 S   HA   _H24    66     1.08582   119.92331  -179.93147
   70    68 S   CA   _C4_    67     1.39457   119.99733    -0.08847
   71    70 S   HA   _H23    68     1.08586   119.98704  -179.89532
   72    70 S   CA   _C6_    69     1.39434   120.02842     0.08156
   73    72 S   HA   _H25    70     1.08598   120.05806  -179.94766
   74    62 S   CA   _C8_    71     1.39436   120.02135   -91.06384
   75    74 S   HA   _H27    72     1.08700   120.88218    -0.03956
  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  10   5   4   3
  15   8   2   1   1  18   8  11   5   4  12   6   5  11   6   8
   5   4   6   6   2   8   3   4  10   3   2   1   1  12   4   1
   1   8   4   6   3   5   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    46    48    52    53    40    41    42    56    58  
   38    39    43    52    40    41    42    56  
   36    37  
   37  
    0  
   39    43    44    45    46    47    48    52    53    40    41    42    56    58    59    60    61    51  
   43    44    45    46    52    40    56    58  
   41    42    56    58    43    46    48    49    50    52    53  
   42    56    48    52    53  
   56    48    52    53  
   44    45    46    47    48    49    50    52    56    58    51    54  
   45    46    47    48    56    51  
   46    47    48    56    51  
   47    48    49    50    52    53    56    51    54    55    57  
   48    49    50    52    51    54  
   49    50    52    53    56    58    51    54  
   50    52    53    56    51  
   52    53    56    51  
   54    55    57    62    63    52  
   53    56    58    59    60    61  
   56    58  
   55    57    62    66    74    63    64    65  
   57    62    63  
   58    59    60    61  
   62    66    67    68    72    74    75    63    64    65  
   59    60    61  
   60    61  
   61  
    0  
   66    67    68    69    70    72    73    74    75    63    64    65  
   64    65    66    74  
   65  
    0  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   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
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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    56   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    40   268.000  1.529
   52    56   382.000  1.448
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
   54    57   320.000  1.462
   57    62   320.000  1.460
   57    63   549.000  1.340
   62    66   469.000  1.400
   62    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   63    64   340.000  1.080
   63    65   340.000  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    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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    56    56.20000  109.47000
   33    40    52    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    58.35000  112.70000
   38    56    52    51.80000  107.20000
   38    56    58    51.80000  107.20000
   43    38    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    40    58.35000  112.70000
   48    52    56    56.20000  109.47000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    40    41    50.00000  109.50000
   52    40    42    37.50000  110.70000
   52    56    58    51.80000  107.20000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   42    40    41    45.00000  125.66300
   56    38    39    35.00000  109.50000
   56    38    43    56.20000  109.47000
   56    52    53    35.00000  109.50000
   56    52    40    56.20000  109.47000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    50.00000  109.50000
   51    54    55    83.00000  123.40000
   51    54    57    90.00000  111.29400
   54    57    62    75.00000  114.44000
   54    57    63    65.00000  118.96000
   57    54    55    80.00000  123.72100
   57    62    66    60.00000  120.93500
   57    62    74    60.00000  120.93500
   57    63    64    35.00000  120.00000
   57    63    65    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   62    74    72    63.00000  120.00000
   62    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    62    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   63    57    62    60.00000  123.20500
   65    63    64    35.00000  117.00000
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    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    56   0.56750  1.0 1.0
   29    33    38    56  -0.07550 -1.0 2.0
   29    33    38    56   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    46   0.56750  1.0 1.0
   33    38    43    46  -0.07550 -1.0 2.0
   33    38    43    46   0.20000  1.0 3.0
   33    38   -56    52   0.23450  1.0 1.0
   33    38   -56    52   0.02050 -1.0 2.0
   33    38   -56    52   0.25250  1.0 3.0
   33    38    56    58   0.58650  1.0 1.0
   33    38    56    58   0.12600 -1.0 2.0
   33    38    56    58   0.33350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    56   0.15000  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    52   0.56750  1.0 1.0
   38    33   -40    52  -0.07550 -1.0 2.0
   38    33   -40    52   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.56750  1.0 1.0
   38    43    46    48  -0.07550 -1.0 2.0
   38    43    46    48   0.20000  1.0 3.0
   38    43    46    51   0.62750  1.0 1.0
   38    43    46    51  -0.30950 -1.0 2.0
   38    43    46    51   0.27300  1.0 3.0
   38    56    58    59   0.28000  1.0 3.0
   38    56    58    60   0.28000  1.0 3.0
   38    56    58    61   0.28000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    46   0.15000  1.0 3.0
   39    38    56    52   0.28000  1.0 3.0
   39    38    56    58   0.28000  1.0 3.0
   43    38    56    52   0.23450  1.0 1.0
   43    38    56    52   0.02050 -1.0 2.0
   43    38    56    52   0.25250  1.0 3.0
   43    38    56    58   0.58650  1.0 1.0
   43    38    56    58   0.12600 -1.0 2.0
   43    38    56    58   0.33350  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46   -48    52   0.56750  1.0 1.0
   43    46   -48    52  -0.07550 -1.0 2.0
   43    46   -48    52   0.20000  1.0 3.0
   43    46    51    54  -0.25900  1.0 1.0
   43    46    51    54  -0.47000 -1.0 2.0
   43    46    51    54   0.11750  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.23400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    40   0.56750  1.0 1.0
   46    48    52    40  -0.07550 -1.0 2.0
   46    48    52    40   0.20000  1.0 3.0
   46    48    52    56   1.53400  1.0 1.0
   46    48    52    56  -0.09950 -1.0 2.0
   46    48    52    56   0.05700  1.0 3.0
   46    51    54    55   3.00000 -1.0 2.0
   46    51    54    57   2.00000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.08050  1.0 3.0
   48    46    51    54  -0.25900  1.0 1.0
   48    46    51    54  -0.47000 -1.0 2.0
   48    46    51    54   0.11750  1.0 3.0
   48    52    40    33   0.56750  1.0 1.0
   48    52    40    33  -0.07550 -1.0 2.0
   48    52    40    33   0.20000  1.0 3.0
   48    52    40    41   0.62750  1.0 1.0
   48    52    40    41  -0.30950 -1.0 2.0
   48    52    40    41   0.27300  1.0 3.0
   48    52    40    42   0.15000  1.0 3.0
   48    52   -56    38   0.23450  1.0 1.0
   48    52   -56    38   0.02050 -1.0 2.0
   48    52   -56    38   0.25250  1.0 3.0
   48    52    56    58   0.58650  1.0 1.0
   48    52    56    58   0.12600 -1.0 2.0
   48    52    56    58   0.33350  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    40   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    40   0.15000  1.0 3.0
   50    48    52    56   0.15000  1.0 3.0
   52    56    58    59   0.28000  1.0 3.0
   52    56    58    60   0.28000  1.0 3.0
   52    56    58    61   0.28000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    41   0.23400  1.0 3.0
   53    52    40    42   0.15000  1.0 3.0
   53    52    56    38   0.28000  1.0 3.0
   53    52    56    58   0.28000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33   -38    56   1.53400  1.0 1.0
   40    33   -38    56  -0.09950 -1.0 2.0
   40    33   -38    56   0.05700  1.0 3.0
   40    52   -56    38   0.23450  1.0 1.0
   40    52   -56    38   0.02050 -1.0 2.0
   40    52   -56    38   0.25250  1.0 3.0
   40    52    56    58   0.58650  1.0 1.0
   40    52    56    58   0.12600 -1.0 2.0
   40    52    56    58   0.33350  1.0 3.0
   56    38    43    44   0.15000  1.0 3.0
   56    38    43    45   0.15000  1.0 3.0
   56    38   -43    46   1.53400  1.0 1.0
   56    38   -43    46  -0.09950 -1.0 2.0
   56    38   -43    46   0.05700  1.0 3.0
   56    52   -40    33   1.53400  1.0 1.0
   56    52   -40    33  -0.09950 -1.0 2.0
   56    52   -40    33   0.05700  1.0 3.0
   56    52    40    41   1.74050  1.0 1.0
   56    52    40    42   0.15000  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    50   0.23400  1.0 3.0
   51    46    48    52   0.62750  1.0 1.0
   51    46    48    52  -0.30950 -1.0 2.0
   51    46    48    52   0.27300  1.0 3.0
   51    54    57    62   1.50000 -1.0 2.0
   51    54    57    63  -0.56150  1.0 1.0
   51    54    57    63   2.19150 -1.0 2.0
   54    57    62    66  -0.01750  1.0 1.0
   54    57    62    66  -0.32000 -1.0 2.0
   54    57    62    66   0.00600  1.0 3.0
   54    57    62    74  -0.01750  1.0 1.0
   54    57    62    74  -0.32000 -1.0 2.0
   54    57    62    74   0.00600  1.0 3.0
   54    57    63    64   7.00000 -1.0 2.0
   54    57    63    65   7.00000 -1.0 2.0
   55    54    57    62  -0.52200  1.0 1.0
   55    54    57    62   0.82950 -1.0 2.0
   55    54    57    63   1.00000 -1.0 2.0
   57    62    66    67   3.62500 -1.0 2.0
   57    62    66    68   3.62500 -1.0 2.0
   57    62    74    72   3.62500 -1.0 2.0
   57    62    74    75   3.62500 -1.0 2.0
   62    57    63    64   7.00000 -1.0 2.0
   62    57    63    65   7.00000 -1.0 2.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    70   3.62500 -1.0 2.0
   66    62    74    72   3.62500 -1.0 2.0
   66    62    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    62   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    62   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    62    66    67   3.62500 -1.0 2.0
   74    62   -66    68   3.62500 -1.0 2.0
   63    57    62    66   0.15800  1.0 1.0
   63    57    62    66   1.85350 -1.0 2.0
   63    57    62    66  -0.48700  1.0 3.0
   63    57    62    74   0.15800  1.0 1.0
   63    57    62    74   1.85350 -1.0 2.0
   63    57    62    74  -0.48700  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
   51    57    54    55  10.50000 -1.0 2.0
   54    62    57    63  15.00000 -1.0 2.0
   66    74    62    57   4.00000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    62   1.10000 -1.0 2.0
   64    65    63    57  15.00000 -1.0 2.0
END
