* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    144    231     437
    1     0 S   NP   _N1_     1    28.72678    96.71302   -24.58205
    2     1 S   H    _HN1     2     1.02787   111.35081   -84.34580
    3     1 S   H    _H1_     3     1.02949    67.92761    17.58318
    4     1 S   H    _H2_     4     1.02828    40.33474  -177.17015
    5     1 S   CT   _CA1     5     1.50113   134.08155   115.10692
    6     5 S   HC   _HA1     6     1.09573   105.18930    99.05157
    7     5 S   CO3  _C1_     7     1.53790   112.49253   -21.17467
    8     7 S   O2Z  _O11     8     1.26372   115.00780   -41.87020
    9     7 S   O2Z  _O12     9     1.26243   114.94888   137.27913
   10     5 S   CT   _CB1    10     1.53081   107.42238  -142.95701
   11    10 S   HC   HB11    11     1.09832   109.36812   -49.63370
   12    10 S   HC   HB12    12     1.09812   110.44796    66.98111
   13    10 S   CT   _CG1    13     1.52987   112.60307  -170.60849
   14    13 S   HC   HG11    14     1.09581   110.63087   -65.87332
   15    13 S   HC   HG12    15     1.09672   109.77532    53.35157
   16    13 S   C    _CD1    16     1.51801   112.24542   173.81128
   17    16 S   O    _OE1    17     1.22729   123.27864     7.14444
   18    16 S   N    _N2_    18     1.38642   111.63218  -172.88252
   19    18 S   H    _HN2    19     1.01575   118.97704     1.75680
   20    18 S   CT1  _CA2    20     1.46258   123.48912   177.65015
   21    20 S   HC   _HA2    21     1.09741   109.28172     4.49353
   22    20 S   C    _C2_    22     1.53629   108.92929  -110.95442
   23    22 S   O    _O2_    23     1.23060   122.28094  -150.77873
   24    20 S   CT   _CB2    32     1.53371   111.38628   126.42062
   25    24 S   HC   HB21    33     1.09548   109.84831    55.29026
   26    24 S   HC   HB22    34     1.09437   110.07054   174.67888
   27    22 S   N    _N3_    24     1.38334   113.83426    36.83572
   28    27 S   H    _HN3    25     1.01559   119.56746    -3.45128
   29    24 S   S    _SG2    35     1.82768   111.20132   -65.58704
   30    27 S   CT   _CA3    26     1.45274   123.23130   177.09162
   31    30 S   HC   HA31    27     1.09548   107.53331   -64.24111
   32    30 S   HC   HA32    28     1.09556   107.97040    52.20526
   33    29 S   CT   _C12    36     1.84940   100.20993   169.43269
   34    33 S   HC   _H5_    37     1.09654   103.94173   -53.50569
   35    30 S   CO3  _C3_    29     1.52957   114.06129   174.19724
   36    35 S   O2Z  _O31    30     1.26379   116.07509    -0.18557
   37    35 S   O2Z  _O32    31     1.26426   114.41785   179.85873
   38    33 S   CM   _C13    38     1.52650   111.84667    66.89105
   39    33 S   CT   _C11    53     1.54903   112.08866  -167.42005
   40    39 S   HC   _H4_    54     1.09634   107.39020   162.93120
   41    38 S   CT   _C15    39     1.53400   114.90503    76.25132
   42    39 S   OH   _O36    55     1.42799   109.53264    48.86131
   43    42 S   HO   _H18    56     0.97229   107.77212    50.36989
   44    38 S   CMA  _C14    74     1.35854   120.69042  -108.11265
   45    44 S   OM   _O33    75     1.26026   132.75174     1.54307
   46    44 S   HC   _H15    76     1.08852   113.87521  -178.19387
   47    41 S   CT   _C5_    40     1.58212   111.68565    54.91646
   48    41 S   CO4  _C16    69     1.53807   113.10335  -177.44564
   49    48 S   O    _O34    70     1.22933   124.53060   102.78556
   50    48 S   HC   _H16    71     1.10173   116.24190   -74.88692
   51    41 S   OH   _O35    72     1.43726   108.41303   -64.35464
   52    51 S   HO   _H17    73     0.97334   107.66218   -51.38717
   53    47 S   CT   _C6_    41     1.56571   109.35517  -176.11884
   54    53 S   HC   _H9_    42     1.09639   111.63076    18.53584
   55    53 S   HC   _H10    43     1.09830   109.36232   -96.75205
   56    47 S   CT   _C4_    65     1.55569   109.57896    65.45334
   57    56 S   HC   _H6_    66     1.09328   112.70637   -58.71350
   58    56 S   HC   _H7_    67     1.09037   112.45540   179.78150
   59    56 S   HC   _H8_    68     1.09430   111.78201    61.73500
   60    53 S   CT   _C7_    44     1.52525   115.54158   140.62906
   61    60 S   HC   _H11    45     1.09644   109.12346   157.40269
   62    60 S   HC   _H12    46     1.09648   109.56699   -86.78101
   63    60 S   CT   _C8_    47     1.51638   111.96914    35.56704
   64    63 S   HC   _H13    48     1.09615   108.84806    58.41634
   65    63 S   HC   _H14    49     1.09771   109.07449   172.45348
   66    63 S   CT   _C9_    50     1.55220   112.21328   -64.94146
   67    47 S   CT   _C10    51     1.58728   108.75079   -55.89900
   68    67 S   HC   _H3_    52     1.10036   105.49053   -58.90877
   69    66 S   CT   _C17    57     1.55427   107.03102   -87.72726
   70    69 S   HC   _H19    58     1.09292   112.36356  -176.54855
   71    69 S   HC   _H20    59     1.09536   111.52759    62.57968
   72    69 S   HC   _H21    60     1.09662   111.07240   -57.08416
   73    66 S   CT   _C18    61     1.54421   107.80212   157.79425
   74    73 S   HC   _H22    62     1.09406   112.29718   168.26468
   75    73 S   HC   _H23    63     1.09688   110.68644    49.37857
   76    73 S   HC   _H24    64     1.09246   112.27344   -70.31866
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  16  14   6  20   5   1   5   1   1  21   7
   2   1   4   1  15   7   6   7   3   2   1   9   5   4  13   5
   4  10   9   2   7   3   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    67    39    40    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    47    66    67    68    39    40    42    43    48    51    44    45    46  
   38    41    67    39    40    42    44  
   36    37  
   37  
    0  
   41    47    53    67    39    40    42    56    48    49    50    51    52    44    45    46  
   40    42    43    69    73    56    44    41    47    53    63    66    67    68  
   42    43    47    66    67    68  
   47    53    54    55    60    66    67    68    56    57    58    59    48    49    50    51    52    44    45    46  
   43    47    66    67    68  
   67  
   45    46    47    48    51  
   46  
    0  
   53    54    55    60    61    62    63    66    67    68    69    73    56    57    58    59    48    49    50    51    52  
   49    50    51    52    53    56    67  
   50    51  
   51  
   52    53    56    67  
    0  
   54    55    60    61    62    63    64    65    66    67    68    56    57    58    59  
   55    60    61    62    63    67    56  
   60    61    62    63    67    56  
   57    58    59    60    66    67    68  
   58    59    67  
   59    67  
   67  
   61    62    63    64    65    66    67    69    73  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71    72    73    74    75    76  
   65    66    67    69    73  
   66    67    69    73  
   67    68    69    70    71    72    73    74    75    76  
   68    69    70    71    72    73    74    75    76  
   69    73  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   50   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   317.000  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    44   465.000  1.376
   41    47   268.000  1.529
   41    48   317.000  1.522
   41    51   320.000  1.410
   47    53   268.000  1.529
   47    67   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   268.000  1.529
   66    69   268.000  1.529
   66    73   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   48    49   570.000  1.229
   48    50   340.000  1.090
   51    52   553.000  0.945
   44    45   745.000  1.250
   44    46   335.000  1.111
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    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    44    70.00000  124.00000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    47    70.00000  112.02700
   38    41    48    70.00000  109.06800
   38    41    51    90.00000  110.39200
   38    44    45    65.00000  137.10300
   38    44    46    45.00000  105.30000
   41    47    53    58.35000  112.70000
   41    47    67    58.35000  112.70000
   41    47    56    58.35000  112.70000
   41    48    49    80.00000  120.40000
   41    48    50    35.00000  115.00000
   41    51    52    55.00000  108.50000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    60    58.35000  112.70000
   47    67    66    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    39    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    59    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    66    67    58.35000  112.70000
   63    66    69    58.35000  112.70000
   63    66    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    39    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   67    47    53    58.35000  112.70000
   67    39    40    37.50000  110.70000
   67    39    42    50.00000  109.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   69    66    67    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    67    58.35000  112.70000
   73    66    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   56    47    53    58.35000  112.70000
   56    47    67    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   48    41    47    63.00000  111.10000
   50    48    49    35.00000  123.00000
   51    41    47    50.00000  109.50000
   51    41    48    90.00000  109.61100
   44    38    41    70.00000  124.00000
   46    44    45    50.00000  124.16400
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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    47   0.46850  1.0 1.0
   33    38    41    47   0.08550 -1.0 2.0
   33    38    41    47   0.09800  1.0 3.0
   33    38    41    48   0.17250  1.0 1.0
   33    38    41    48  -0.04100 -1.0 2.0
   33    38    41    48  -0.33850  1.0 3.0
   33    38    41    51   0.18000  1.0 1.0
   33    38    41    51   0.16450 -1.0 2.0
   33    38    41    51   0.04450  1.0 3.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    46   7.00000 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    44   0.00000  1.0 1.0
   34    33    39    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    42   1.05650  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42   0.53150  1.0 3.0
   38    41    47    53   0.34400  1.0 1.0
   38    41    47    53   0.09450 -1.0 2.0
   38    41    47    53   0.11100  1.0 3.0
   38    41   -47    67   0.34400  1.0 1.0
   38    41   -47    67   0.09450 -1.0 2.0
   38    41   -47    67   0.11100  1.0 3.0
   38    41    47    56   0.34400  1.0 1.0
   38    41    47    56   0.09450 -1.0 2.0
   38    41    47    56   0.11100  1.0 3.0
   38    41    48    49   0.30150 -1.0 2.0
   38    41    48    50   0.81450  1.0 1.0
   38    41    48    50  -0.29600 -1.0 2.0
   38    41    48    50   0.60450  1.0 3.0
   38    41    51    52  -0.07800  1.0 1.0
   38    41    51    52  -0.21500 -1.0 2.0
   38    41    51    52  -0.03150  1.0 3.0
   41    38    44    45   7.00000 -1.0 2.0
   41    38    44    46   7.00000 -1.0 2.0
   41    47    53    54   0.15000  1.0 3.0
   41    47    53    55   0.15000  1.0 3.0
   41    47    53    60   0.56750  1.0 1.0
   41    47    53    60  -0.07550 -1.0 2.0
   41    47    53    60   0.20000  1.0 3.0
   41    47    67    66   0.56750  1.0 1.0
   41    47    67    66  -0.07550 -1.0 2.0
   41    47    67    66   0.20000  1.0 3.0
   41    47    67    68   0.15000  1.0 3.0
   41    47    67    39   0.56750  1.0 1.0
   41    47    67    39  -0.07550 -1.0 2.0
   41    47    67    39   0.20000  1.0 3.0
   41    47    56    57   0.15000  1.0 3.0
   41    47    56    58   0.15000  1.0 3.0
   41    47    56    59   0.15000  1.0 3.0
   47    41    48    49   0.30150 -1.0 2.0
   47    41    48    50   0.74550  1.0 1.0
   47    41    48    50  -0.00500 -1.0 2.0
   47    41    51    52  -0.11600  1.0 1.0
   47    41    51    52  -0.09450 -1.0 2.0
   47    41    51    52   0.21250  1.0 3.0
   47    53    60    61   0.15000  1.0 3.0
   47    53    60    62   0.15000  1.0 3.0
   47    53    60    63   0.56750  1.0 1.0
   47    53    60    63  -0.07550 -1.0 2.0
   47    53    60    63   0.20000  1.0 3.0
   47    67   -39    33   0.56750  1.0 1.0
   47    67   -39    33  -0.07550 -1.0 2.0
   47    67   -39    33   0.20000  1.0 3.0
   47    67    39    40   0.15000  1.0 3.0
   47    67    39    42   0.86500  1.0 1.0
   47    67    39    42  -0.17500 -1.0 2.0
   47    67    39    42   0.20800  1.0 3.0
   53    47    67    66   0.56750  1.0 1.0
   53    47    67    66  -0.07550 -1.0 2.0
   53    47    67    66   0.20000  1.0 3.0
   53    47    67    68   0.15000  1.0 3.0
   53    47    67    39   0.56750  1.0 1.0
   53    47    67    39  -0.07550 -1.0 2.0
   53    47    67    39   0.20000  1.0 3.0
   53    47    56    57   0.15000  1.0 3.0
   53    47    56    58   0.15000  1.0 3.0
   53    47    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    65   0.15000  1.0 3.0
   53    60   -63    66   0.56750  1.0 1.0
   53    60   -63    66  -0.07550 -1.0 2.0
   53    60   -63    66   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    66    67   0.56750  1.0 1.0
   60    63    66    67  -0.07550 -1.0 2.0
   60    63    66    67   0.20000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   60    63    66    73   0.56750  1.0 1.0
   60    63    66    73  -0.07550 -1.0 2.0
   60    63    66    73   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    66   -67    47   0.56750  1.0 1.0
   63    66   -67    47  -0.07550 -1.0 2.0
   63    66   -67    47   0.20000  1.0 3.0
   63    66    67    68   0.15000  1.0 3.0
   63    66    67    39   0.56750  1.0 1.0
   63    66    67    39  -0.07550 -1.0 2.0
   63    66    67    39   0.20000  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   63    66    73    74   0.15000  1.0 3.0
   63    66    73    75   0.15000  1.0 3.0
   63    66    73    76   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    73   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   65    63    66    73   0.15000  1.0 3.0
   66    67    39    33   0.56750  1.0 1.0
   66    67    39    33  -0.07550 -1.0 2.0
   66    67    39    33   0.20000  1.0 3.0
   66    67    39    40   0.15000  1.0 3.0
   66    67    39    42   0.86500  1.0 1.0
   66    67    39    42  -0.17500 -1.0 2.0
   66    67    39    42   0.20800  1.0 3.0
   67    47    53    54   0.15000  1.0 3.0
   67    47    53    55   0.15000  1.0 3.0
   67    47   -53    60   0.56750  1.0 1.0
   67    47   -53    60  -0.07550 -1.0 2.0
   67    47   -53    60   0.20000  1.0 3.0
   67    47    56    57   0.15000  1.0 3.0
   67    47    56    58   0.15000  1.0 3.0
   67    47    56    59   0.15000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   67    39    42    43  -0.11600  1.0 1.0
   67    39    42    43  -0.09450 -1.0 2.0
   67    39    42    43   0.21250  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42   0.23400  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    44   0.09850  1.0 1.0
   39    33    38    44   0.15250 -1.0 2.0
   39    33    38    44  -0.50650  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   69    66    67    47   0.56750  1.0 1.0
   69    66    67    47  -0.07550 -1.0 2.0
   69    66    67    47   0.20000  1.0 3.0
   69    66    67    68   0.15000  1.0 3.0
   69    66    67    39   0.56750  1.0 1.0
   69    66    67    39  -0.07550 -1.0 2.0
   69    66    67    39   0.20000  1.0 3.0
   69    66    73    74   0.15000  1.0 3.0
   69    66    73    75   0.15000  1.0 3.0
   69    66    73    76   0.15000  1.0 3.0
   73    66    67    47   0.56750  1.0 1.0
   73    66    67    47  -0.07550 -1.0 2.0
   73    66    67    47   0.20000  1.0 3.0
   73    66    67    68   0.15000  1.0 3.0
   73    66    67    39   0.56750  1.0 1.0
   73    66    67    39  -0.07550 -1.0 2.0
   73    66    67    39   0.20000  1.0 3.0
   73    66    69    70   0.15000  1.0 3.0
   73    66    69    71   0.15000  1.0 3.0
   73    66    69    72   0.15000  1.0 3.0
   56    47    53    54   0.15000  1.0 3.0
   56    47    53    55   0.15000  1.0 3.0
   56    47    53    60   0.56750  1.0 1.0
   56    47    53    60  -0.07550 -1.0 2.0
   56    47    53    60   0.20000  1.0 3.0
   56    47    67    66   0.56750  1.0 1.0
   56    47    67    66  -0.07550 -1.0 2.0
   56    47    67    66   0.20000  1.0 3.0
   56    47    67    68   0.15000  1.0 3.0
   56    47    67    39   0.56750  1.0 1.0
   56    47    67    39  -0.07550 -1.0 2.0
   56    47    67    39   0.20000  1.0 3.0
   48    41    47    53  -0.95700  1.0 1.0
   48    41    47    53  -0.18200 -1.0 2.0
   48    41    47    53   0.29450  1.0 3.0
   48    41    47    67  -0.95700  1.0 1.0
   48    41    47    67  -0.18200 -1.0 2.0
   48    41    47    67   0.29450  1.0 3.0
   48    41    47    56  -0.95700  1.0 1.0
   48    41    47    56  -0.18200 -1.0 2.0
   48    41    47    56   0.29450  1.0 3.0
   48    41    51    52   0.91850  1.0 1.0
   48    41    51    52   0.57950  1.0 3.0
   51    41    47    53   0.86500  1.0 1.0
   51    41    47    53  -0.17500 -1.0 2.0
   51    41    47    53   0.20800  1.0 3.0
   51    41    47    67   0.86500  1.0 1.0
   51    41    47    67  -0.17500 -1.0 2.0
   51    41    47    67   0.20800  1.0 3.0
   51    41    47    56   0.86500  1.0 1.0
   51    41    47    56  -0.17500 -1.0 2.0
   51    41    47    56   0.20800  1.0 3.0
   51    41    48    49   0.30150 -1.0 2.0
   51    41    48    50   0.00000  1.0 1.0
   44    38    41    47   0.09850  1.0 1.0
   44    38    41    47   0.15250 -1.0 2.0
   44    38    41    47  -0.50650  1.0 3.0
   44    38    41    48  -0.51250  1.0 1.0
   44    38    41    48  -0.88800 -1.0 2.0
   44    38    41    48   0.08850  1.0 3.0
   44    38    41    51   0.67800  1.0 1.0
   44    38    41    51   0.47050 -1.0 2.0
   44    38    41    51  -0.62500  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    44   1.10000 -1.0 2.0
   41    50    48    49  10.50000 -1.0 2.0
   45    46    44    38   1.10000 -1.0 2.0
END
