* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     437
    1     0 S   NP   _N1_     1    27.91240    97.35744   -23.40712
    2     1 S   H    _HN1     2     1.02957    68.30645    11.75416
    3     1 S   H    _H1_     3     1.02835    41.23875   170.56466
    4     1 S   H    _H2_     4     1.02777   107.15404   -91.63745
    5     1 S   CT   _CA1     5     1.50131   138.15913   108.51710
    6     5 S   HC   _HA1     6     1.09575   105.21185    97.68521
    7     5 S   CO3  _C1_     7     1.53786   112.37284   -22.50206
    8     7 S   O2Z  _O11     8     1.26366   114.99673   -43.57959
    9     7 S   O2Z  _O12     9     1.26236   114.93423   135.51783
   10     5 S   CT   _CB1    10     1.53096   107.42164  -144.40002
   11    10 S   HC   HB11    11     1.09827   109.32949   -50.42804
   12    10 S   HC   HB12    12     1.09816   110.42616    66.12892
   13    10 S   CT   _CG1    13     1.53021   112.67486  -171.49592
   14    13 S   HC   HG11    14     1.09593   110.49213   -64.51086
   15    13 S   HC   HG12    15     1.09658   109.90881    54.68754
   16    13 S   C    _CD1    16     1.51852   112.32183   175.05668
   17    16 S   O    _OE1    17     1.22752   123.25659     0.57403
   18    16 S   N    _N2_    18     1.38579   111.69670  -179.39413
   19    18 S   H    _HN2    19     1.01551   118.92635     4.80212
   20    18 S   CT1  _CA2    20     1.45672   122.87104   177.81215
   21    20 S   HC   _HA2    21     1.09804   108.67158    23.70172
   22    20 S   C    _C2_    22     1.52987   108.40060   -92.37994
   23    22 S   O    _O2_    23     1.22839   123.51188   -21.62438
   24    20 S   CT   _CB2    32     1.53353   112.02976   147.04073
   25    24 S   HC   HB21    33     1.09524   111.06661    38.94252
   26    24 S   HC   HB22    34     1.09344   110.16107   157.78396
   27    22 S   N    _N3_    24     1.38617   111.56127   161.23431
   28    27 S   H    _HN3    25     1.01659   119.54143    -4.23096
   29    24 S   S    _SG2    35     1.82453   110.33838   -81.67969
   30    27 S   CT   _CA3    26     1.45243   123.64806   175.80087
   31    30 S   HC   HA31    27     1.09528   108.72437   -37.82740
   32    30 S   HC   HA32    28     1.09519   107.11535    78.98490
   33    29 S   CT   _C12    36     1.84650    99.97098  -150.05061
   34    33 S   HC   _H8_    37     1.09559   107.79074    22.32600
   35    30 S   CO3  _C3_    29     1.53121   113.66410  -160.00271
   36    35 S   O2Z  _O31    30     1.26450   116.06823     4.68651
   37    35 S   O2Z  _O32    31     1.26420   114.42533  -175.40415
   38    33 S   CT   _C13    38     1.56438   112.43761   -96.08656
   39    38 S   Cl   Cl1_    39     1.78748   110.52159    82.11907
   40    38 S   HC   _H9_    40     1.09689   110.58401   -34.38395
   41    38 S   CT   _C14    41     1.57077   106.00966  -152.70278
   42    41 S   CT   _C10    42     1.55063   103.57093    -3.21242
   43    42 S   HC   _H7_    43     1.10161   105.10575   -83.44515
   44    41 S   CT   _C15    70     1.52698   116.70451  -127.24106
   45    44 S   HC   _H15    71     1.09602   110.91307   -59.09810
   46    44 S   HC   _H16    72     1.09520   111.02028  -176.08118
   47    44 S   HC   _H17    73     1.09444   112.25015    62.99455
   48    41 S   OH   _O33    74     1.43453   108.26056   113.79634
   49    48 S   HO   _H18    75     0.97584   106.87680   -61.83725
   50    42 S   CT   _C9_    44     1.52687   119.85625   156.72250
   51    50 S   HC   _H6_    45     1.09985   110.15987   -61.46225
   52    50 S   CT   _C8_    46     1.52122   108.13746   175.67913
   53    52 S   HC   _H5_    47     1.09999   110.15120   -56.75150
   54    52 S   CM   _C17    48     1.48302    97.50943  -166.56222
   55    52 S   CT   _C7_    55     1.52585   111.21100    63.60941
   56    55 S   HC   _H13    56     1.09812   109.71175    59.69875
   57    55 S   HC   _H14    57     1.09419   110.86242   174.84820
   58    54 S   CO4  _C16    49     1.49026   105.91234    33.59022
   59    58 S   O    _O36    50     1.21717   127.07036   164.66676
   60    54 S   CM   _C18    52     1.33355   130.69628  -144.80328
   61    60 S   HC   _H19    53     1.08456   120.98217    -0.99288
   62    60 S   HC   _H20    54     1.08502   121.46378   179.03937
   63    55 S   CT   _C6_    58     1.57557   110.62025   -61.25733
   64    63 S   HC   _H4_    59     1.10207   106.83357   171.31086
   65    50 S   OS   _O35    51     1.42823   116.17785    59.77912
   66    33 S   CT   _C11    60     1.55931   116.38787   143.02585
   67    66 S   OM   _O34    61     1.33166   109.62757    51.69071
   68    63 S   CT   _C5_    62     1.56308   112.14708   -73.30857
   69    68 S   HC   _H3_    63     1.09418   110.68308    79.76705
   70    68 S   CT   _C4_    64     1.52789   114.64103   -43.49508
   71    70 S   HC   _H10    65     1.09543   110.86662   -52.70884
   72    70 S   HC   _H11    66     1.09590   110.65853  -170.70500
   73    70 S   HC   _H12    67     1.09328   112.03081    69.48355
   74    68 S   OH   _O37    68     1.43030   108.93137  -162.42172
   75    74 S   HO   _H21    69     0.97616   107.68629  -177.67695
  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
  16   8   2   1   1  15   6   5  15  20   9   7   3   2   1   3
   1  14   7  15   8  10  13   5   4   5   2   3   1   1  11   6
   1   5   1   7   6   5   3   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    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    63    66    67  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    50    55    63    64    66    67    68    44    48  
   38    39    40    41    42    63    66    67  
   36    37  
   37  
    0  
   39    40    41    42    43    50    63    66    67    44    45    46    47    48    49  
   40    41    42    66    44    48  
   41    42    66    44    48  
   42    43    50    51    52    65    63    66    67    44    45    46    47    48    49  
   43    50    51    52    53    54    58    65    55    63    64    66    67    68    44    45    46    47    48    49  
   50    51    52    65    63    66    67    44    48  
   45    46    47    48    49    50    66  
   46    47    48  
   47    48  
   48  
   49    50    66  
    0  
   51    52    53    54    58    59    65    60    55    56    57    63    66    67  
   52    53    54    58    65    55    66  
   53    54    58    59    65    60    61    62    55    56    57    63    64    66    68  
   54    58    65    60    55    56    57    63  
   58    59    65    60    61    62    55    56    57    63  
   56    57    63    64    66    67    68    69    70    74    58    60    65  
   57    63    64    66    68  
   63    64    66    68  
   59    65    60    61    62  
   65    60  
   61    62    65  
   62  
    0  
   64    66    67    68    69    70    71    72    73    74    75  
   66    67    68    69    70    74  
   66  
   67    68    69    70    74  
   68  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74  
   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   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    66   268.000  1.529
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    66   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    65   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    55   268.000  1.529
   54    58   320.000  1.462
   54    60   549.000  1.340
   58    59   570.000  1.229
   58    65   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    68   268.000  1.529
   66    67   570.000  1.307
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    74   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   553.000  0.945
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   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  111.63000
   29    33    66    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    66    42    58.35000  112.70000
   33    66    63    58.35000  112.70000
   33    66    67    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    58.35000  112.70000
   38    41    44    58.35000  112.70000
   38    41    48    50.00000  109.50000
   40    38    39    51.00000  107.60000
   41    38    39    69.00000  109.80000
   41    38    40    37.50000  110.70000
   41    42    43    37.50000  110.70000
   41    42    50    58.35000  112.70000
   41    42    66    58.35000  112.70000
   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
   42    50    51    37.50000  110.70000
   42    50    52    58.35000  112.70000
   42    50    65    50.00000  109.50000
   42    66    63    58.35000  112.70000
   42    66    67    50.00000  109.50000
   50    42    43    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    70.00000  112.02700
   50    52    55    58.35000  112.70000
   50    65    58    83.00000  116.90000
   52    50    51    37.50000  110.70000
   52    54    58    65.00000  116.34900
   52    54    60    70.00000  124.00000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    58    59    80.00000  123.72100
   54    58    65    90.00000  111.29400
   54    60    61    35.00000  120.00000
   54    60    62    35.00000  120.00000
   65    50    51    35.00000  109.50000
   65    50    52    50.00000  109.50000
   65    58    59    83.00000  123.40000
   60    54    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   55    52    53    37.50000  110.70000
   55    52    54    70.00000  112.02700
   55    63    64    37.50000  110.70000
   55    63    66    58.35000  112.70000
   55    63    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   63    55    56    37.50000  110.70000
   63    55    57    37.50000  110.70000
   63    66    67    50.00000  109.50000
   63    68    69    37.50000  110.70000
   63    68    70    58.35000  112.70000
   63    68    74    50.00000  109.50000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    42    43    37.50000  110.70000
   66    42    50    58.35000  112.70000
   66    63    64    37.50000  110.70000
   68    63    64    37.50000  110.70000
   68    63    66    58.35000  112.70000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    37.50000  110.70000
   68    74    75    55.00000  108.50000
   70    68    69    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    68    69    35.00000  109.50000
   74    68    70    50.00000  109.50000
   44    41    42    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    42    50.00000  109.50000
   48    41    44    50.00000  109.50000
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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    66    42   0.44750  1.0 1.0
   29    33    66    42  -0.17800 -1.0 2.0
   29    33    66    42   0.20200  1.0 3.0
   29    33    66    63   0.44750  1.0 1.0
   29    33    66    63  -0.17800 -1.0 2.0
   29    33    66    63   0.20200  1.0 3.0
   29    33    66    67   0.56750  1.0 1.0
   29    33    66    67  -0.07550 -1.0 2.0
   29    33    66    67   0.20000  1.0 3.0
   33    38   -41    42   0.56750  1.0 1.0
   33    38   -41    42  -0.07550 -1.0 2.0
   33    38   -41    42   0.20000  1.0 3.0
   33    38    41    44   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    38    41    48   0.86500  1.0 1.0
   33    38    41    48  -0.17500 -1.0 2.0
   33    38    41    48   0.20800  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    66    42   0.15000  1.0 3.0
   34    33    66    63   0.15000  1.0 3.0
   34    33    66    67   0.23400  1.0 3.0
   38    33   -66    42   0.56750  1.0 1.0
   38    33   -66    42  -0.07550 -1.0 2.0
   38    33   -66    42   0.20000  1.0 3.0
   38    33    66    63   0.56750  1.0 1.0
   38    33    66    63  -0.07550 -1.0 2.0
   38    33    66    63   0.20000  1.0 3.0
   38    33    66    67   0.62750  1.0 1.0
   38    33    66    67  -0.30950 -1.0 2.0
   38    33    66    67   0.27300  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    50   0.56750  1.0 1.0
   38    41    42    50  -0.07550 -1.0 2.0
   38    41    42    50   0.20000  1.0 3.0
   38    41   -42    66   0.56750  1.0 1.0
   38    41   -42    66  -0.07550 -1.0 2.0
   38    41   -42    66   0.20000  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.15000  1.0 3.0
   38    41    44    47   0.15000  1.0 3.0
   38    41    48    49  -0.11600  1.0 1.0
   38    41    48    49  -0.09450 -1.0 2.0
   38    41    48    49   0.21250  1.0 3.0
   39    38    41    42   0.35600  1.0 1.0
   39    38    41    42  -0.14650 -1.0 2.0
   39    38    41    42   0.33350  1.0 3.0
   39    38    41    44   0.35600  1.0 1.0
   39    38    41    44  -0.14650 -1.0 2.0
   39    38    41    44   0.33350  1.0 3.0
   39    38    41    48   0.56750  1.0 1.0
   39    38    41    48  -0.07550 -1.0 2.0
   39    38    41    48   0.20000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   40    38    41    48   0.23400  1.0 3.0
   41    42    50    51   0.15000  1.0 3.0
   41    42    50    52   0.56750  1.0 1.0
   41    42    50    52  -0.07550 -1.0 2.0
   41    42    50    52   0.20000  1.0 3.0
   41    42    50    65   0.62750  1.0 1.0
   41    42    50    65  -0.30950 -1.0 2.0
   41    42    50    65   0.27300  1.0 3.0
   41    42   -66    33   0.56750  1.0 1.0
   41    42   -66    33  -0.07550 -1.0 2.0
   41    42   -66    33   0.20000  1.0 3.0
   41    42    66    63   0.56750  1.0 1.0
   41    42    66    63  -0.07550 -1.0 2.0
   41    42    66    63   0.20000  1.0 3.0
   41    42    66    67   0.62750  1.0 1.0
   41    42    66    67  -0.30950 -1.0 2.0
   41    42    66    67   0.27300  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.15000  1.0 3.0
   42    41    48    49  -0.11600  1.0 1.0
   42    41    48    49  -0.09450 -1.0 2.0
   42    41    48    49   0.21250  1.0 3.0
   42    50    52    53   0.15000  1.0 3.0
   42    50    52    54   0.34400  1.0 1.0
   42    50    52    54   0.09450 -1.0 2.0
   42    50    52    54   0.11100  1.0 3.0
   42    50    52    55   0.56750  1.0 1.0
   42    50    52    55  -0.07550 -1.0 2.0
   42    50    52    55   0.20000  1.0 3.0
   42    50    65    58  -0.25900  1.0 1.0
   42    50    65    58  -0.47000 -1.0 2.0
   42    50    65    58   0.11750  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    65   0.23400  1.0 3.0
   43    42    66    33   0.15000  1.0 3.0
   43    42    66    63   0.15000  1.0 3.0
   43    42    66    67   0.23400  1.0 3.0
   50    42    66    33   0.56750  1.0 1.0
   50    42    66    33  -0.07550 -1.0 2.0
   50    42    66    33   0.20000  1.0 3.0
   50    42    66    63   0.56750  1.0 1.0
   50    42    66    63  -0.07550 -1.0 2.0
   50    42    66    63   0.20000  1.0 3.0
   50    42    66    67   0.62750  1.0 1.0
   50    42    66    67  -0.30950 -1.0 2.0
   50    42    66    67   0.27300  1.0 3.0
   50    52   -54    58   0.09700  1.0 1.0
   50    52   -54    58   0.15600 -1.0 2.0
   50    52   -54    58  -0.50800  1.0 3.0
   50    52    54    60   0.09850  1.0 1.0
   50    52    54    60   0.15250 -1.0 2.0
   50    52    54    60  -0.50650  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    63   0.56750  1.0 1.0
   50    52   -55    63  -0.07550 -1.0 2.0
   50    52   -55    63   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    65    58   0.08050  1.0 3.0
   52    50   -65    58  -0.25900  1.0 1.0
   52    50   -65    58  -0.47000 -1.0 2.0
   52    50   -65    58   0.11750  1.0 3.0
   52    54    58    59  -0.64400  1.0 1.0
   52    54    58    59   0.26850 -1.0 2.0
   52    54   -58    65  -0.15000  1.0 1.0
   52    54   -58    65   0.89550 -1.0 2.0
   52    54   -58    65  -0.06900  1.0 3.0
   52    54    60    61   7.00000 -1.0 2.0
   52    54    60    62   7.00000 -1.0 2.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    66   0.56750  1.0 1.0
   52    55    63    66  -0.07550 -1.0 2.0
   52    55    63    66   0.20000  1.0 3.0
   52    55    63    68   0.56750  1.0 1.0
   52    55    63    68  -0.07550 -1.0 2.0
   52    55    63    68   0.20000  1.0 3.0
   53    52    54    58   0.15000  1.0 3.0
   53    52    54    60   0.00000  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    63   0.34400  1.0 1.0
   54    52    55    63   0.09450 -1.0 2.0
   54    52    55    63   0.11100  1.0 3.0
   54    58   -65    50   2.00000 -1.0 2.0
   58    54    60    61   7.00000 -1.0 2.0
   58    54    60    62   7.00000 -1.0 2.0
   59    58    65    50   3.00000 -1.0 2.0
   65    50    52    53   0.23400  1.0 3.0
   65    50   -52    54   0.61850  1.0 1.0
   65    50   -52    54  -0.22750 -1.0 2.0
   65    50   -52    54   0.15300  1.0 3.0
   65    50    52    55   0.62750  1.0 1.0
   65    50    52    55  -0.30950 -1.0 2.0
   65    50    52    55   0.27300  1.0 3.0
   60    54    58    59   1.00000 -1.0 2.0
   60    54    58    65  -0.56150  1.0 1.0
   60    54    58    65   2.19150 -1.0 2.0
   55    52    54    58   0.09700  1.0 1.0
   55    52    54    58   0.15600 -1.0 2.0
   55    52    54    58  -0.50800  1.0 3.0
   55    52    54    60   0.09850  1.0 1.0
   55    52    54    60   0.15250 -1.0 2.0
   55    52    54    60  -0.50650  1.0 3.0
   55    63    66    33   0.56750  1.0 1.0
   55    63    66    33  -0.07550 -1.0 2.0
   55    63    66    33   0.20000  1.0 3.0
   55    63   -66    42   0.56750  1.0 1.0
   55    63   -66    42  -0.07550 -1.0 2.0
   55    63   -66    42   0.20000  1.0 3.0
   55    63    66    67   0.62750  1.0 1.0
   55    63    66    67  -0.30950 -1.0 2.0
   55    63    66    67   0.27300  1.0 3.0
   55    63    68    69   0.15000  1.0 3.0
   55    63    68    70   0.56750  1.0 1.0
   55    63    68    70  -0.07550 -1.0 2.0
   55    63    68    70   0.20000  1.0 3.0
   55    63    68    74   0.86500  1.0 1.0
   55    63    68    74  -0.17500 -1.0 2.0
   55    63    68    74   0.20800  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    63    68   0.15000  1.0 3.0
   57    55    63    64   0.15000  1.0 3.0
   57    55    63    66   0.15000  1.0 3.0
   57    55    63    68   0.15000  1.0 3.0
   63    68    70    71   0.15000  1.0 3.0
   63    68    70    72   0.15000  1.0 3.0
   63    68    70    73   0.15000  1.0 3.0
   63    68    74    75  -0.11600  1.0 1.0
   63    68    74    75  -0.09450 -1.0 2.0
   63    68    74    75   0.21250  1.0 3.0
   64    63    66    33   0.15000  1.0 3.0
   64    63    66    42   0.15000  1.0 3.0
   64    63    66    67   0.23400  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    74   0.23400  1.0 3.0
   66    33    38    39   0.35600  1.0 1.0
   66    33    38    39  -0.14650 -1.0 2.0
   66    33    38    39   0.33350  1.0 3.0
   66    33    38    40   0.15000  1.0 3.0
   66    33   -38    41   0.56750  1.0 1.0
   66    33   -38    41  -0.07550 -1.0 2.0
   66    33   -38    41   0.20000  1.0 3.0
   66    42    50    51   0.15000  1.0 3.0
   66    42   -50    52   0.56750  1.0 1.0
   66    42   -50    52  -0.07550 -1.0 2.0
   66    42   -50    52   0.20000  1.0 3.0
   66    42    50    65   0.62750  1.0 1.0
   66    42    50    65  -0.30950 -1.0 2.0
   66    42    50    65   0.27300  1.0 3.0
   66    63    68    69   0.15000  1.0 3.0
   66    63    68    70   0.56750  1.0 1.0
   66    63    68    70  -0.07550 -1.0 2.0
   66    63    68    70   0.20000  1.0 3.0
   66    63    68    74   0.86500  1.0 1.0
   66    63    68    74  -0.17500 -1.0 2.0
   66    63    68    74   0.20800  1.0 3.0
   68    63    66    33   0.56750  1.0 1.0
   68    63    66    33  -0.07550 -1.0 2.0
   68    63    66    33   0.20000  1.0 3.0
   68    63    66    42   0.56750  1.0 1.0
   68    63    66    42  -0.07550 -1.0 2.0
   68    63    66    42   0.20000  1.0 3.0
   68    63    66    67   0.62750  1.0 1.0
   68    63    66    67  -0.30950 -1.0 2.0
   68    63    66    67   0.27300  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.15000  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   70    68    74    75  -0.11600  1.0 1.0
   70    68    74    75  -0.09450 -1.0 2.0
   70    68    74    75   0.21250  1.0 3.0
   74    68    70    71   0.23400  1.0 3.0
   74    68    70    72   0.23400  1.0 3.0
   74    68    70    73   0.23400  1.0 3.0
   44    41    42    43   0.15000  1.0 3.0
   44    41    42    50   0.56750  1.0 1.0
   44    41    42    50  -0.07550 -1.0 2.0
   44    41    42    50   0.20000  1.0 3.0
   44    41    42    66   0.56750  1.0 1.0
   44    41    42    66  -0.07550 -1.0 2.0
   44    41    42    66   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    42    43   0.23400  1.0 3.0
   48    41    42    50   0.86500  1.0 1.0
   48    41    42    50  -0.17500 -1.0 2.0
   48    41    42    50   0.20800  1.0 3.0
   48    41    42    66   0.86500  1.0 1.0
   48    41    42    66  -0.17500 -1.0 2.0
   48    41    42    66   0.20800  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
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
   52    58    54    60   1.10000 -1.0 2.0
   54    65    58    59  10.50000 -1.0 2.0
   61    62    60    54   1.10000 -1.0 2.0
END
