* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    216     415
    1     0 S   NP   _N1_     1    28.76557    94.58592   -25.16611
    2     1 S   H    _HN1     2     1.02785   115.21663   -90.23227
    3     1 S   H    _H1_     3     1.02949    80.13018    15.52536
    4     1 S   H    _H2_     4     1.02828    27.07682  -170.14479
    5     1 S   CT   _CA1     5     1.50112   124.54113   123.56924
    6     5 S   HC   _HA1     6     1.09573   105.19627    85.71200
    7     5 S   CO3  _C1_     7     1.53790   112.46847   -34.52166
    8     7 S   O2Z  _O11     8     1.26372   115.00867   -42.36974
    9     7 S   O2Z  _O12     9     1.26241   114.94785   136.76828
   10     5 S   CT   _CB1    10     1.53079   107.41821  -156.30290
   11    10 S   HC   HB11    11     1.09832   109.37514   -49.70210
   12    10 S   HC   HB12    12     1.09813   110.44400    66.90798
   13    10 S   CT   _CG1    13     1.52985   112.60495  -170.68348
   14    13 S   HC   HG11    14     1.09583   110.62130   -65.55214
   15    13 S   HC   HG12    15     1.09670   109.79687    53.67988
   16    13 S   C    _CD1    16     1.51798   112.24053   174.13198
   17    16 S   O    _OE1    17     1.22728   123.29963     6.47211
   18    16 S   N    _N2_    18     1.38653   111.65848  -173.61915
   19    18 S   H    _HN2    19     1.01579   118.92635     1.79362
   20    18 S   CT1  _CA2    20     1.46186   123.39378   177.68929
   21    20 S   HC   _HA2    21     1.09732   109.38393     2.62137
   22    20 S   C    _C2_    22     1.53541   108.60344  -112.91208
   23    22 S   O    _O2_    23     1.23062   122.27443  -147.61642
   24    20 S   CT   _CB2    32     1.53294   111.59046   124.64694
   25    24 S   HC   HB21    33     1.09597   110.06355    56.13796
   26    24 S   HC   HB22    34     1.09439   110.12545   175.08442
   27    22 S   N    _N3_    24     1.38322   113.70201    39.79476
   28    27 S   H    _HN3    25     1.01588   119.59394    -3.25726
   29    24 S   S    _SG2    35     1.82887   111.57528   -64.52221
   30    27 S   CT   _CA3    26     1.45288   123.21479   177.15229
   31    30 S   HC   HA31    27     1.09549   107.50746   -64.63956
   32    30 S   HC   HA32    28     1.09557   107.98665    51.79825
   33    29 S   CT   _C15    36     1.86571    99.44644   178.71885
   34    33 S   HC   _H3_    37     1.08863   104.45685   -32.84652
   35    30 S   CO3  _C3_    29     1.52961   114.08123   173.79834
   36    35 S   O2Z  _O31    30     1.26375   116.06958    -0.66352
   37    35 S   O2Z  _O32    31     1.26428   114.41293   179.39672
   38    33 S   CT   _C11    38     1.55125   106.17882    83.94798
   39    38 S   HC   _H28    39     1.09751   108.63941    83.87963
   40    38 S   HC   _H29    40     1.09913   109.80682   -30.24980
   41    33 S   CT   _C16    60     1.57350   110.31611  -149.66606
   42    38 S   CT   _C13    41     1.54428   118.16625  -151.70959
   43    42 S   HC   _H31    42     1.08996   110.64959   -67.43089
   44    41 S   CT   _C18    61     1.54393   112.93588    49.91674
   45    44 S   HC   _H37    62     1.09502   112.01939   -71.59708
   46    44 S   HC   _H38    63     1.09681   110.69295   171.61721
   47    44 S   HC   _H39    64     1.09433   111.97722    51.04979
   48    41 S   OH   _O19    65     1.43815   108.08650   -68.37250
   49    48 S   HO   _H41    66     0.97256   108.20320   174.96075
   50    42 S   CM   _C6_    43     1.50119   113.23101   174.32163
   51    50 S   CO4  _C7_    44     1.47477   109.47825  -142.56483
   52    51 S   O    _O16    45     1.21753   127.12804  -170.84618
   53    50 S   CM   _C8_    73     1.33700   129.86897    36.83440
   54    53 S   HC   _H22    74     1.08435   121.40494     0.83369
   55    53 S   HC   _H23    75     1.08550   121.69279  -179.59362
   56    51 S   OS   _O17    46     1.35867   107.11977     8.05072
   57    42 S   CT   _C14    47     1.53288   115.33641    60.08686
   58    57 S   HC   _H32    48     1.09844   110.75676    30.75325
   59    57 S   CT   _C9_    49     1.54067   117.52829   -93.75769
   60    59 S   HC   _H24    50     1.09894   108.67189  -165.52408
   61    59 S   HC   _H25    51     1.09174   109.18051    81.43806
   62    59 S   CM   _C5_    52     1.51743   115.95631   -44.26243
   63    62 S   CM   _C4_    53     1.34903   124.34824   100.21517
   64    63 S   HC   _H21    54     1.08928   118.00887  -178.90890
   65    62 S   CT   _C17    69     1.50680   115.68569   -80.21158
   66    65 S   HC   _H34    70     1.09485   110.37164   -54.47222
   67    65 S   HC   _H35    71     1.09534   112.24123  -174.09920
   68    65 S   HC   _H36    72     1.09366   110.70404    65.91398
   69    63 S   CT   _C12    55     1.50465   126.77791    -0.69774
   70    69 S   HC   _H30    56     1.08962   110.56796    28.10973
   71    69 S   CT   _C10    57     1.53895   112.07421   -97.17123
   72    71 S   HC   _H26    58     1.10012   109.52010  -105.40774
   73    71 S   HC   _H27    59     1.09411   112.01010     8.48100
   74    69 S   OH   _O18    67     1.43100   108.38331   142.18707
   75    74 S   HO   _H40    68     0.97250   108.23826    61.74799
  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
  19   8   2   1   1  15   6   5  14  14   7   9   4   3   2   5
   1   9   8   3   4   1   1   6   7   4  10   4   3  10  12   5
   4   2   1   1   6   5   4   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    71    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    57    69    71    72    73    41    44    45    46    47    48    49  
   38    39    40    42    71    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    51    56    57    58    59    71    41    44    48    53  
   40    42    43    50    57    41  
   42    43    50    57    41  
   44    45    46    47    48    49    74    42    63    69    70    71    72    73  
   43    50    51    52    56    57    58    59    60    61    62    53    54    55  
   50    51    56    57    58    59    53  
   45    46    47    48    49    69    71    72    73  
   46    47    48    71  
   47    48    71  
   48    71  
   49    69    71    72    73  
   71  
   51    52    56    57    58    59    53    54    55  
   52    56    57    58    59    53    54    55  
   56    57    53  
   54    55    56    57  
   55  
    0  
   57    58    59    60    61    62  
   58    59    60    61    62    63    65  
   59    60    61    62  
   60    61    62    63    64    69    65    66    67    68  
   61    62    63    65  
   62    63    65  
   63    64    69    70    71    74    65    66    67    68  
   64    69    70    71    72    73    74    75    65    66    67    68  
   69    70    71    74    65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75  
   73    74  
   74  
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   317.000  1.510
   42    57   268.000  1.529
   50    51   320.000  1.462
   50    53   549.000  1.340
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   549.000  1.340
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    69   317.000  1.510
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    41   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   74    75   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   340.000  1.080
   53    55   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    71    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    70.00000  112.02700
   38    42    57    58.35000  112.70000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    50    51    65.00000  116.34900
   42    50    53    70.00000  124.00000
   42    57    56    50.00000  109.50000
   42    57    58    37.50000  110.70000
   42    57    59    58.35000  112.70000
   50    42    43    35.00000  109.50000
   50    51    52    80.00000  123.72100
   50    51    56    90.00000  111.29400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   57    42    43    37.50000  110.70000
   57    42    50    70.00000  112.02700
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    70.00000  112.02700
   59    57    58    37.50000  110.70000
   59    62    63    70.00000  124.00000
   59    62    65    65.00000  117.92700
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    69    70.00000  124.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    70.00000  112.02700
   63    69    74    90.00000  110.39200
   69    63    64    35.00000  117.00000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    41    58.35000  112.70000
   69    74    75    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    41    44    58.35000  112.70000
   71    41    48    50.00000  109.50000
   73    71    72    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    71    72    37.50000  110.70000
   41    71    73    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    71    50.00000  109.50000
   65    62    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    50    51    65.00000  118.96000
   55    53    54    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    71   0.44750  1.0 1.0
   29    33    41    71  -0.17800 -1.0 2.0
   29    33    41    71   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.34400  1.0 1.0
   33    38    42    50   0.09450 -1.0 2.0
   33    38    42    50   0.11100  1.0 3.0
   33    38    42    57   0.56750  1.0 1.0
   33    38    42    57  -0.07550 -1.0 2.0
   33    38    42    57   0.20000  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    71   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    71   0.56750  1.0 1.0
   38    33    41    71  -0.07550 -1.0 2.0
   38    33    41    71   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    51   0.09700  1.0 1.0
   38    42    50    51   0.15600 -1.0 2.0
   38    42    50    51  -0.50800  1.0 3.0
   38    42    50    53   0.09850  1.0 1.0
   38    42    50    53   0.15250 -1.0 2.0
   38    42    50    53  -0.50650  1.0 3.0
   38    42    57    56   0.62750  1.0 1.0
   38    42    57    56  -0.30950 -1.0 2.0
   38    42    57    56   0.27300  1.0 3.0
   38    42    57    58   0.15000  1.0 3.0
   38    42    57    59   0.56750  1.0 1.0
   38    42    57    59  -0.07550 -1.0 2.0
   38    42    57    59   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    50   0.15000  1.0 3.0
   39    38    42    57   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    57   0.15000  1.0 3.0
   42    50    51    52  -0.64400  1.0 1.0
   42    50    51    52   0.26850 -1.0 2.0
   42    50   -51    56  -0.15000  1.0 1.0
   42    50   -51    56   0.89550 -1.0 2.0
   42    50   -51    56  -0.06900  1.0 3.0
   42    50    53    54   7.00000 -1.0 2.0
   42    50    53    55   7.00000 -1.0 2.0
   42    57    59    60   0.15000  1.0 3.0
   42    57    59    61   0.15000  1.0 3.0
   42    57    59    62   0.34400  1.0 1.0
   42    57    59    62   0.09450 -1.0 2.0
   42    57    59    62   0.11100  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    53   0.00000  1.0 1.0
   43    42    57    56   0.23400  1.0 3.0
   43    42    57    58   0.15000  1.0 3.0
   43    42    57    59   0.15000  1.0 3.0
   50    42   -57    56   0.61850  1.0 1.0
   50    42   -57    56  -0.22750 -1.0 2.0
   50    42   -57    56   0.15300  1.0 3.0
   50    42    57    58   0.15000  1.0 3.0
   50    42    57    59   0.34400  1.0 1.0
   50    42    57    59   0.09450 -1.0 2.0
   50    42    57    59   0.11100  1.0 3.0
   50    51   -56    57   2.00000 -1.0 2.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -57    42  -0.25900  1.0 1.0
   51    56   -57    42  -0.47000 -1.0 2.0
   51    56   -57    42   0.11750  1.0 3.0
   51    56    57    58   0.08050  1.0 3.0
   51    56    57    59  -0.25900  1.0 1.0
   51    56    57    59  -0.47000 -1.0 2.0
   51    56    57    59   0.11750  1.0 3.0
   52    51    56    57   3.00000 -1.0 2.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.23400  1.0 3.0
   56    57    59    62   0.61850  1.0 1.0
   56    57    59    62  -0.22750 -1.0 2.0
   56    57    59    62   0.15300  1.0 3.0
   57    42   -50    51   0.09700  1.0 1.0
   57    42   -50    51   0.15600 -1.0 2.0
   57    42   -50    51  -0.50800  1.0 3.0
   57    42    50    53   0.09850  1.0 1.0
   57    42    50    53   0.15250 -1.0 2.0
   57    42    50    53  -0.50650  1.0 3.0
   57    59    62    63   0.09850  1.0 1.0
   57    59    62    63   0.15250 -1.0 2.0
   57    59    62    63  -0.50650  1.0 3.0
   57    59    62    65   0.46850  1.0 1.0
   57    59    62    65   0.08550 -1.0 2.0
   57    59    62    65   0.09800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   59    62    63    64   7.00000 -1.0 2.0
   59    62    63    69   7.00000 -1.0 2.0
   59    62    65    66   0.34800  1.0 3.0
   59    62    65    67   0.34800  1.0 3.0
   59    62    65    68   0.34800  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    65   0.34800  1.0 3.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    65   0.34800  1.0 3.0
   62    63    69    70   0.00000  1.0 1.0
   62    63    69    71   0.09850  1.0 1.0
   62    63    69    71   0.15250 -1.0 2.0
   62    63    69    71  -0.50650  1.0 3.0
   62    63    69    74   0.67800  1.0 1.0
   62    63    69    74   0.47050 -1.0 2.0
   62    63    69    74  -0.62500  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    71    72   0.15000  1.0 3.0
   63    69    71    73   0.15000  1.0 3.0
   63    69    71    41   0.34400  1.0 1.0
   63    69    71    41   0.09450 -1.0 2.0
   63    69    71    41   0.11100  1.0 3.0
   63    69    74    75  -0.07800  1.0 1.0
   63    69    74    75  -0.21500 -1.0 2.0
   63    69    74    75  -0.03150  1.0 3.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    71   0.00000  1.0 1.0
   64    63    69    74   0.00000  1.0 1.0
   69    71    41    33   0.56750  1.0 1.0
   69    71    41    33  -0.07550 -1.0 2.0
   69    71    41    33   0.20000  1.0 3.0
   69    71    41    44   0.56750  1.0 1.0
   69    71    41    44  -0.07550 -1.0 2.0
   69    71    41    44   0.20000  1.0 3.0
   69    71    41    48   0.86500  1.0 1.0
   69    71    41    48  -0.17500 -1.0 2.0
   69    71    41    48   0.20800  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    41   0.15000  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75  -0.11600  1.0 1.0
   71    69    74    75  -0.09450 -1.0 2.0
   71    69    74    75   0.21250  1.0 3.0
   71    41    44    45   0.15000  1.0 3.0
   71    41    44    46   0.15000  1.0 3.0
   71    41    44    47   0.15000  1.0 3.0
   71    41    48    49  -0.11600  1.0 1.0
   71    41    48    49  -0.09450 -1.0 2.0
   71    41    48    49   0.21250  1.0 3.0
   72    71    41    33   0.15000  1.0 3.0
   72    71    41    44   0.15000  1.0 3.0
   72    71    41    48   0.23400  1.0 3.0
   73    71    41    33   0.15000  1.0 3.0
   73    71    41    44   0.15000  1.0 3.0
   73    71    41    48   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
   74    69    71    72   0.23400  1.0 3.0
   74    69    71    73   0.23400  1.0 3.0
   74    69    71    41   0.86500  1.0 1.0
   74    69    71    41  -0.17500 -1.0 2.0
   74    69    71    41   0.20800  1.0 3.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    69   7.00000 -1.0 2.0
   53    50    51    52   1.00000 -1.0 2.0
   53    50    51    56  -0.56150  1.0 1.0
   53    50    51    56   2.19150 -1.0 2.0
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
   42    51    50    53   1.10000 -1.0 2.0
   50    56    51    52  10.50000 -1.0 2.0
   59    65    62    63   1.10000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
