* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    123    195     358
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.80604    98.14668  -178.23764
   34    33 S   HC   _H3_    37     1.09747   107.94226  -178.71961
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C19    38     1.51666   108.57872   -59.98659
   39    38 S   Br   Br1_    39     1.87693   115.47653   -77.69435
   40    38 S   CM   _C18    40     1.34788   122.06246   104.90963
   41    40 S   CM   _C17    41     1.45660   120.85698     0.58249
   42    41 S   Br   Br2_    42     1.87625   119.45382  -172.79731
   43    40 S   OH   _O34    68     1.37999   123.08093   179.41650
   44    43 S   HO   _H14    69     0.96204   109.85706     1.12483
   45    41 S   CM   _C16    43     1.34554   120.40289     9.37394
   46    45 S   HC   _H13    44     1.08818   120.34014   176.49776
   47    33 S   CM   _C15    45     1.52208   108.43169    63.43842
   48    47 S   CMA  _C14    46     1.34319   121.88560    82.04521
   49    48 S   OM   _O35    47     1.26837   128.83024   178.76299
   50    48 S   C5B  _C7_    48     1.49382   111.33479    -1.23606
   51    50 S   C56B _C8_    49     1.41996   128.14278   -90.02822
   52    50 S   C5A  _C6_    60     1.37521   125.45427    89.97115
   53    51 S   CA   _C9_    50     1.40552   135.70454     0.06561
   54    53 S   HA   _H9_    51     1.08633   121.31742    -0.08156
   55    52 S   CT   _C5_    61     1.47160   133.55312     0.00000
   56    55 S   HC   _H7_    62     1.10874   111.38529  -135.04952
   57    55 S   HC   _H8_    63     1.10894   111.32271   -18.95779
   58    53 S   CA   _C10    52     1.40222   118.67039   180.00000
   59    58 S   HA   _H10    53     1.08706   119.39759   180.00000
   60    55 S   CT   _C4_    64     1.53453   113.04457   102.96084
   61    60 S   HC   _H4_    65     1.09498   110.67421   -56.18532
   62    60 S   HC   _H5_    66     1.09456   111.43270  -176.48431
   63    60 S   HC   _H6_    67     1.09595   110.61322    63.32411
   64    58 S   CA   _C11    54     1.39705   121.04331    -0.03426
   65    64 S   HA   _H11    55     1.08733   119.44326   179.97202
   66    64 S   CA   _C12    56     1.39849   121.25306     0.05234
   67    66 S   HA   _H12    57     1.08305   121.70504  -179.96574
   68    51 S   C56A _C13    58     1.39124   105.74852  -179.97202
   69    68 S   OA   _O33    59     1.36247   110.22113    -0.00000
  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   8   5   4   3
  12   6   2   1   1   9   4   7   7   4   2   1   5   2   5   8
   3  12  11  11   8   4   8   6   5   6   3   4   2   1   1   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    47    48    49    50    43  
   38    39    40    45    47    48  
   36    37  
   37  
    0  
   39    40    41    42    45    47    48    43    44  
   40    41    47    43  
   41    42    45    46    47    43    44  
   42    45    46    47    48    43    44  
   45    46    47    43  
   44    45  
    0  
   46    47    48    49    50  
   47    48  
   48    49    50    51    52  
   49    50    51    53    68    69    52    55  
   50    51    52  
   51    53    54    58    66    68    69    52    55    56    57    60  
   53    54    58    59    64    66    67    68    69    52    55  
   55    56    57    60    61    62    63    53    66    68    69  
   54    58    59    64    65    66    68    69  
   58    59    64    68  
   56    57    60    61    62    63    68    69  
   57    60    61    62    63    69  
   60    61    62    63    69  
   59    64    65    66    67    68  
   64    65    66  
   61    62    63    69  
   62    63  
   63  
    0  
   65    66    67    68    69  
   66    67    68  
   67    68    69  
   68    69  
   69  
    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   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.272700   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700   0.136300   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.122800   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.149800   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    47   317.000  1.510
   38    39   165.000  1.979
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   165.000  1.979
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    47   380.000  1.444
   47    48   465.000  1.376
   48    49   745.000  1.250
   48    50   320.000  1.460
   50    51   380.000  1.440
   50    52   520.000  1.370
   51    53   469.000  1.404
   51    68   447.000  1.419
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   425.000  1.380
   69    52   340.000  1.360
   52    55   295.000  1.489
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   43    44   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    47    75.00000  112.20000
   33    38    39    70.00000  111.14000
   33    38    40    70.00000  124.00000
   33    47    45    70.00000  124.00000
   33    47    48    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    65.00000  115.01300
   40    41    42    65.00000  115.01300
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    35.00000  120.00000
   41    45    47    70.00000  123.01800
   45    41    42    65.00000  115.01300
   45    47    48    70.00000  117.34000
   47    33    34    35.00000  109.50000
   47    33    38    70.00000  110.12100
   47    45    46    35.00000  120.00000
   47    48    49    65.00000  137.10300
   47    48    50    60.00000  123.20500
   48    50    51    65.00000  117.00000
   48    50    52    65.00000  117.00000
   50    48    49    85.00000  114.86500
   50    51    53    50.00000  134.85500
   50    51    68    80.00000  107.43600
   50    52    69    70.00000  108.00000
   50    52    55    55.00000  130.44200
   51    53    54    35.00000  120.00000
   51    53    58    63.00000  120.00000
   51    68    66    85.00000  122.70000
   51    68    69   100.00000  108.43400
   53    58    59    35.00000  120.00000
   53    58    64    63.00000  120.00000
   58    53    54    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    66    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    85.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    70.00000  124.10000
   68    51    53    85.00000  116.20000
   68    66    67    35.00000  120.00000
   68    69    52   110.00000  105.28000
   69    52    55    80.00000  116.10000
   52    50    51    80.00000  105.82900
   52    55    56    45.00000  110.47400
   52    55    57    45.00000  110.47400
   52    55    60    70.00000  113.44400
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   43    40    41    80.00000  121.38400
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    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   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    47    45   0.42700  1.0 1.0
   29    33    47    45  -0.70350 -1.0 2.0
   29    33    47    45  -0.43150  1.0 3.0
   29    33    47    48   0.42700  1.0 1.0
   29    33    47    48  -0.70350 -1.0 2.0
   29    33    47    48  -0.43150  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
   33    47    48    49   7.00000 -1.0 2.0
   33    47    48    50   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    45   0.00000  1.0 1.0
   34    33    47    48   0.00000  1.0 1.0
   38    33    47    45  -0.28300  1.0 1.0
   38    33    47    45   0.26700 -1.0 2.0
   38    33    47    45  -0.63300  1.0 3.0
   38    33    47    48  -0.28300  1.0 1.0
   38    33    47    48   0.26700 -1.0 2.0
   38    33    47    48  -0.63300  1.0 3.0
   38    40    41    42  -0.18600  1.0 3.0
   38    40   -41    45   0.28850  1.0 1.0
   38    40   -41    45   2.61350 -1.0 2.0
   38    40   -41    45   0.78400  1.0 3.0
   38    40    43    44  -0.66100  1.0 1.0
   38    40    43    44   1.20850 -1.0 2.0
   38    40    43    44  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    43   7.00000 -1.0 2.0
   40    41    45    46   7.00000 -1.0 2.0
   40    41    45    47   7.00000 -1.0 2.0
   41    40    43    44  -0.66100  1.0 1.0
   41    40    43    44   1.20850 -1.0 2.0
   41    40    43    44  -0.36000  1.0 3.0
   41    45   -47    33  -0.18600  1.0 3.0
   41    45    47    48   0.28850  1.0 1.0
   41    45    47    48   2.61350 -1.0 2.0
   41    45    47    48   0.78400  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    47   7.00000 -1.0 2.0
   45    47    48    49   7.00000 -1.0 2.0
   45    47    48    50   7.00000 -1.0 2.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48  -0.18600  1.0 3.0
   47    33    38    39   0.09700  1.0 1.0
   47    33    38    39   0.15600 -1.0 2.0
   47    33    38    39  -0.50800  1.0 3.0
   47    33   -38    40  -0.28300  1.0 1.0
   47    33   -38    40   0.26700 -1.0 2.0
   47    33   -38    40  -0.63300  1.0 3.0
   47    48    50    51   0.15800  1.0 1.0
   47    48    50    51   1.85350 -1.0 2.0
   47    48    50    51  -0.48700  1.0 3.0
   47    48    50    52   0.15800  1.0 1.0
   47    48    50    52   1.85350 -1.0 2.0
   47    48    50    52  -0.48700  1.0 3.0
   48    50    51    53   3.62500 -1.0 2.0
   48    50    51    68   3.62500 -1.0 2.0
   48    50    52    69   3.62500 -1.0 2.0
   48    50    52    55   3.62500 -1.0 2.0
   49    48    50    51  -0.01750  1.0 1.0
   49    48    50    51  -0.32000 -1.0 2.0
   49    48    50    51   0.00600  1.0 3.0
   49    48    50    52  -0.01750  1.0 1.0
   49    48    50    52  -0.32000 -1.0 2.0
   49    48    50    52   0.00600  1.0 3.0
   50    51    53    54   3.62500 -1.0 2.0
   50    51    53    58   3.62500 -1.0 2.0
   50    51    68    66   3.00000 -1.0 2.0
   50    51   -68    69   3.62500 -1.0 2.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    60   0.04150 -1.0 2.0
   51    50   -52    69   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   51    53    58    59   3.62500 -1.0 2.0
   51    53    58    64   3.62500 -1.0 2.0
   51    68   -69    52   3.62500 -1.0 2.0
   53    51    68    66   3.00000 -1.0 2.0
   53    51    68    69   3.62500 -1.0 2.0
   53    58    64    65   3.62500 -1.0 2.0
   53    58   -64    66   3.62500 -1.0 2.0
   54    53    58    59   3.62500 -1.0 2.0
   54    53    58    64   3.62500 -1.0 2.0
   58    64    66    67   3.62500 -1.0 2.0
   58    64    66    68   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    66   3.62500 -1.0 2.0
   64    66   -68    51   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    52   3.62500 -1.0 2.0
   67    66    68    51   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   68    51    53    54   3.50000 -1.0 2.0
   68    51   -53    58   3.50000 -1.0 2.0
   68    69   -52    50   3.62500 -1.0 2.0
   68    69    52    55   3.62500 -1.0 2.0
   69    52    55    56   0.00000  1.0 1.0
   69    52    55    57   0.00000  1.0 1.0
   69    52    55    60   0.38650  1.0 1.0
   69    52    55    60  -0.24750 -1.0 2.0
   69    52    55    60   0.76750  1.0 3.0
   52    50    51    53   3.62500 -1.0 2.0
   52    50   -51    68   3.50000 -1.0 2.0
   52    55    60    61   0.43200  1.0 3.0
   52    55    60    62   0.43200  1.0 3.0
   52    55    60    63   0.43200  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   43    40    41    42   1.08500 -1.0 2.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
   33    45    47    48   1.10000 -1.0 2.0
   50    49    48    47   1.10000 -1.0 2.0
   51    52    50    48   4.00000 -1.0 2.0
   53    68    51    50   4.00000 -1.0 2.0
   58    54    53    51   1.10000 -1.0 2.0
   64    59    58    53   1.10000 -1.0 2.0
   66    65    64    58   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   66    69    68    51   4.00000 -1.0 2.0
   69    55    52    50   4.00000 -1.0 2.0
END
