* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    133    216     405
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078    86.24781   -74.99678
    3     1 S   H    _H1_     3     1.02056    94.03507    33.51442
    4     1 S   H    _H2_     4     1.02106    33.41123   151.94677
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.86785    96.72809   161.86319
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C10    37     1.51682   105.57506    39.99207
   38    37 S   HC   _H14    38     1.08721   117.40200   -88.02244
   39    33 S   CT   _C16    53     1.55514   111.11077   -83.17151
   40    39 S   HC   _H16    54     1.09941   108.72511   172.69607
   41    37 S   CM   _C11    39     1.34502   124.75698    91.48449
   42    39 S   C    _C14    55     1.50861   114.58933    55.05581
   43    42 S   O    _O7_    56     1.22181   125.05131   -90.53722
   44    41 S   CO4  _C12    40     1.48971   119.45352    -1.50441
   45    44 S   O    _O5_    41     1.22197   123.62272  -173.11242
   46    42 S   OH   _O8_    57     1.35577   110.63225    89.61910
   47    46 S   HO   _H17    58     0.98127   111.85345   179.90513
   48    41 S   CT   _C6_    63     1.49548   123.33873  -179.44047
   49    48 S   HC   _H6_    64     1.09673   108.68152    30.01429
   50    48 S   HC   _H7_    65     1.09668   107.60099   145.39347
   51    44 S   CO4  _C13    42     1.50710   118.09530     6.84006
   52    51 S   O    _O6_    43     1.22138   118.45127  -163.24022
   53    48 S   CT1  _C4_    66     1.53343   112.22607   -93.14387
   54    53 S   HC   _H5_    67     1.09683   109.39916   -60.02398
   55    33 S   CT1  _C15    44     1.54821   111.25084   158.23091
   56    55 S   HC   _H15    45     1.10143   109.72846  -179.36204
   57    53 S   NT   _N4_    68     1.46119   110.20350   179.31959
   58    57 S   H    _H3_    69     0.99614   117.97427  -156.21129
   59    57 S   H    _H4_    70     0.99653   118.00708    37.27951
   60    53 S   C    _C5_    71     1.51924   112.85216    60.66259
   61    60 S   O    _O1_    72     1.22397   125.25837    88.68404
   62    55 S   NT   _N5_    46     1.46620   112.77586    60.27246
   63    62 S   H    _H9_    47     1.02083   109.16525  -177.39992
   64    60 S   OH   _O33    73     1.36059   112.04120   -91.51608
   65    64 S   HO   _H8_    74     0.98106   114.76859  -179.77619
   66    62 S   CT1  _C7_    48     1.46768   109.33546    63.56825
   67    66 S   HC   _H10    49     1.09674   110.08177    66.26087
   68    66 S   CT   _C9_    50     1.53281   112.82012   -57.24882
   69    68 S   HC   _H11    51     1.09817   110.68506   -72.05357
   70    68 S   HC   _H12    52     1.09876   109.00841   173.11356
   71    66 S   C    _C8_    59     1.49532   106.09849  -177.57005
   72    71 S   O    _O3_    60     1.22188   125.08254     2.20647
   73    71 S   OH   _O4_    61     1.35534   110.69358  -177.71176
   74    73 S   HO   _H13    62     0.98100   111.95347   179.89532
  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  12   5   4   3
  20   2   1   1  16   5  16   8  12   8   3  10   4   2   1  11
   5   4   6   3   8   6   7   3   5   2   1   3   2   9   4   1
   1   8   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    51    55    56    62    68    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    51    52    55    56    62    63    66    68    69    70    39    40    42    43    46    48  
   35    36  
   36  
    0  
   38    41    44    45    51    55    56    62    68    39    40    42    48    49    50    53  
   41    44    55    39    48  
   40    42    43    46    47    71    41    51    55    56    62    66    67    68    69    70  
   42    43    46    55    66    68    69    70  
   44    45    51    52    55    48    49    50    53    54    57    60  
   43    46    47    55    66    68    69    70  
   46    47    68  
   45    51    52    55    56    62    48    49    50    53  
   51    52    55    48  
   47    68  
    0  
   49    50    53    54    57    58    59    60    61    64    51  
   50    53    54    57    60  
   53    54    57    60  
   52    55    56    62    63    66  
   55    56    62  
   54    57    58    59    60    61    64    65  
   57    58    59    60    61    64  
   56    62    63    66    67    68    71  
   62    63    66  
   58    59    60    61    64  
   59    60  
   60  
   61    64    65  
   64    65  
   63    66    67    68    69    70    71    72    73  
   66    67    68    71  
   65  
    0  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   58   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   62   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   73   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.450000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    55   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    44   320.000  1.462
   41    48   317.000  1.510
   44    45   570.000  1.229
   44    51   250.000  1.523
   51    52   570.000  1.229
   51    55   255.000  1.522
   55    56   340.000  1.090
   55    62   305.000  1.457
   62    63   434.000  1.010
   62    66   305.000  1.457
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   570.000  1.229
   42    46   450.000  1.364
   46    47   553.000  0.945
   71    72   570.000  1.229
   71    73   450.000  1.364
   73    74   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   305.000  1.457
   53    60   317.000  1.522
   57    58   434.000  1.010
   57    59   434.000  1.010
   60    61   570.000  1.229
   60    64   450.000  1.364
   64    65   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    55    75.00000  108.68000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    55    51    70.00000  110.61500
   33    55    56    37.50000  110.70000
   33    55    62    80.00000  111.22000
   33    39    68    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    63.00000  111.10000
   37    41    44    65.00000  118.96000
   37    41    48    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    44    45    80.00000  123.72100
   41    44    51    65.00000  116.00000
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    70.00000  112.02700
   44    51    52    80.00000  119.30300
   44    51    55    65.00000  115.45000
   51    44    45    80.00000  119.30300
   51    55    56    45.00000  110.09800
   51    55    62    75.00000  112.91400
   55    33    37    70.00000  112.02700
   55    51    52    75.00000  123.42600
   55    62    63    50.00000  111.55300
   55    62    66    51.80000  107.20000
   62    55    56    50.00000  109.55000
   62    66    67    50.00000  109.55000
   62    66    68    80.00000  111.22000
   62    66    71    75.00000  111.54000
   66    62    63    50.00000  111.55300
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    39    58.35000  112.70000
   66    71    72    80.00000  120.40000
   66    71    73    80.00000  116.87500
   68    66    67    37.50000  110.70000
   68    39    40    37.50000  110.70000
   68    39    42    63.00000  111.10000
   70    68    69    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    55    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    70    37.50000  110.70000
   39    42    43    80.00000  120.40000
   39    42    46    70.00000  108.00000
   42    39    40    35.00000  109.50000
   42    46    47    35.00000  113.00000
   46    42    43   100.00000  123.32000
   71    66    67    35.00000  109.50000
   71    66    68    63.00000  111.10000
   71    73    74    35.00000  113.00000
   73    71    72   100.00000  123.32000
   48    41    44    65.00000  116.34900
   48    53    54    37.50000  110.70000
   48    53    57    80.00000  111.22000
   48    53    60    63.00000  111.10000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    58    50.00000  111.55300
   53    57    59    50.00000  111.55300
   53    60    61    80.00000  120.40000
   53    60    64    80.00000  116.87500
   57    53    54    50.00000  109.55000
   59    57    58    43.60000  106.40000
   60    53    54    35.00000  109.50000
   60    53    57    75.00000  111.54000
   60    64    65    35.00000  113.00000
   64    60    61   100.00000  123.32000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    55    51  -2.17200  1.0 1.0
   29    33    55    51  -0.85700 -1.0 2.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   29    33    39    68   0.44750  1.0 1.0
   29    33    39    68  -0.17800 -1.0 2.0
   29    33    39    68   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    37    41    44   7.00000 -1.0 2.0
   33    37    41    48   7.00000 -1.0 2.0
   33    55    62    63  -0.15950  1.0 1.0
   33    55    62    63   0.34650 -1.0 2.0
   33    55    62    63   0.05750  1.0 3.0
   33    55    62    66   0.23450  1.0 1.0
   33    55    62    66   0.02050 -1.0 2.0
   33    55    62    66   0.25250  1.0 3.0
   33    39    42    43   0.30150 -1.0 2.0
   33    39    42    46   0.50000  1.0 1.0
   33    39    42    46   0.27300 -1.0 2.0
   33    39    42    46   0.22500  1.0 3.0
   37    33    55    51  -0.98800  1.0 1.0
   37    33    55    51   0.48800 -1.0 2.0
   37    33    55    51   0.76800  1.0 3.0
   37    33    55    56   0.15000  1.0 3.0
   37    33    55    62   0.59950  1.0 1.0
   37    33    55    62  -0.21400 -1.0 2.0
   37    33    55    62   0.56200  1.0 3.0
   37    33    39    68   0.34400  1.0 1.0
   37    33    39    68   0.09450 -1.0 2.0
   37    33    39    68   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41    44    45   1.00000 -1.0 2.0
   37    41   -44    51   0.50400  1.0 1.0
   37    41   -44    51   1.60000 -1.0 2.0
   37    41   -44    51  -0.01800  1.0 3.0
   37    41    48    49   0.00000  1.0 1.0
   37    41    48    50   0.00000  1.0 1.0
   37    41    48    53   0.09850  1.0 1.0
   37    41    48    53   0.15250 -1.0 2.0
   37    41    48    53  -0.50650  1.0 3.0
   38    37    41    44   7.00000 -1.0 2.0
   38    37    41    48   7.00000 -1.0 2.0
   41    44    51    52   0.03000  1.0 1.0
   41    44    51    52   0.58800 -1.0 2.0
   41    44    51    52   0.15550  1.0 3.0
   41    44    51    55   0.43900  1.0 1.0
   41    44    51    55  -0.18150 -1.0 2.0
   41    44    51    55  -0.03650  1.0 3.0
   41    48    53    54   0.15000  1.0 3.0
   41    48    53    57   0.59950  1.0 1.0
   41    48    53    57  -0.21400 -1.0 2.0
   41    48    53    57   0.56200  1.0 3.0
   41    48    53    60  -0.98800  1.0 1.0
   41    48    53    60   0.48800 -1.0 2.0
   41    48    53    60   0.76800  1.0 3.0
   44    41    48    49   0.15000  1.0 3.0
   44    41    48    50   0.15000  1.0 3.0
   44    41    48    53   0.09700  1.0 1.0
   44    41    48    53   0.15600 -1.0 2.0
   44    41    48    53  -0.50800  1.0 3.0
   44    51   -55    33   0.65300  1.0 1.0
   44    51   -55    33  -0.03850 -1.0 2.0
   44    51   -55    33   0.33900  1.0 3.0
   44    51    55    56   0.00000  1.0 1.0
   44    51    55    62   0.65300  1.0 1.0
   44    51    55    62  -0.03850 -1.0 2.0
   44    51    55    62   0.33900  1.0 3.0
   45    44    51    52   0.06100 -1.0 2.0
   45    44    51    55   0.49600 -1.0 2.0
   51    55    62    63   0.21900  1.0 1.0
   51    55    62    63  -0.24900 -1.0 2.0
   51    55    62    63   0.15200  1.0 3.0
   51    55    62    66  -1.76800  1.0 1.0
   51    55    62    66   1.02600 -1.0 2.0
   51    55    62    66   0.19700  1.0 3.0
   52    51    55    33   0.00000  1.0 1.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    62   0.30150 -1.0 2.0
   55    33    37    38   0.00000  1.0 1.0
   55    33   -37    41   0.09850  1.0 1.0
   55    33   -37    41   0.15250 -1.0 2.0
   55    33   -37    41  -0.50650  1.0 3.0
   55    33    39    68   0.56750  1.0 1.0
   55    33    39    68  -0.07550 -1.0 2.0
   55    33    39    68   0.20000  1.0 3.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    42  -0.84850  1.0 1.0
   55    33    39    42  -0.22800 -1.0 2.0
   55    33    39    42   0.29250  1.0 3.0
   55    62    66    67   0.28000  1.0 3.0
   55    62   -66    68   0.23450  1.0 1.0
   55    62   -66    68   0.02050 -1.0 2.0
   55    62   -66    68   0.25250  1.0 3.0
   55    62    66    71  -1.76800  1.0 1.0
   55    62    66    71   1.02600 -1.0 2.0
   55    62    66    71   0.19700  1.0 3.0
   56    55    62    63   0.20000  1.0 3.0
   56    55    62    66   0.28000  1.0 3.0
   62    66    68    69   0.15000  1.0 3.0
   62    66    68    70   0.15000  1.0 3.0
   62    66    68    39   1.53400  1.0 1.0
   62    66    68    39  -0.09950 -1.0 2.0
   62    66    68    39   0.05700  1.0 3.0
   62    66    71    72   0.30150 -1.0 2.0
   62    66    71    73   0.40000  1.0 3.0
   63    62    66    67   0.20000  1.0 3.0
   63    62    66    68  -0.15950  1.0 1.0
   63    62    66    68   0.34650 -1.0 2.0
   63    62    66    68   0.05750  1.0 3.0
   63    62    66    71   0.21900  1.0 1.0
   63    62    66    71  -0.24900 -1.0 2.0
   63    62    66    71   0.15200  1.0 3.0
   66    68   -39    33   0.56750  1.0 1.0
   66    68   -39    33  -0.07550 -1.0 2.0
   66    68   -39    33   0.20000  1.0 3.0
   66    68    39    40   0.15000  1.0 3.0
   66    68    39    42  -0.84850  1.0 1.0
   66    68    39    42  -0.22800 -1.0 2.0
   66    68    39    42   0.29250  1.0 3.0
   66    71    73    74   1.50000  1.0 1.0
   66    71    73    74   2.45000 -1.0 2.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    39   0.15000  1.0 3.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   68    66    71    72   0.00000  1.0 1.0
   68    66    71    73   0.50000  1.0 1.0
   68    66    71    73   0.27300 -1.0 2.0
   68    66    71    73   0.22500  1.0 3.0
   68    39    42    43   0.30150 -1.0 2.0
   68    39    42    46   0.50000  1.0 1.0
   68    39    42    46   0.27300 -1.0 2.0
   68    39    42    46   0.22500  1.0 3.0
   69    68    39    33   0.15000  1.0 3.0
   69    68    39    40   0.15000  1.0 3.0
   69    68    39    42  -0.11250  1.0 3.0
   70    68    39    33   0.15000  1.0 3.0
   70    68    39    40   0.15000  1.0 3.0
   70    68    39    42  -0.11250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    55    51  -0.84850  1.0 1.0
   39    33    55    51  -0.22800 -1.0 2.0
   39    33    55    51   0.29250  1.0 3.0
   39    33    55    56   0.15000  1.0 3.0
   39    33   -55    62   1.53400  1.0 1.0
   39    33   -55    62  -0.09950 -1.0 2.0
   39    33   -55    62   0.05700  1.0 3.0
   39    42    46    47   1.50000  1.0 1.0
   39    42    46    47   2.45000 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    46   0.00000  1.0 1.0
   43    42    46    47   0.92200  1.0 1.0
   43    42    46    47   3.74100 -1.0 2.0
   71    66    68    69  -0.03800  1.0 3.0
   71    66    68    70  -0.03800  1.0 3.0
   71    66    68    39  -0.84850  1.0 1.0
   71    66    68    39  -0.22800 -1.0 2.0
   71    66    68    39   0.29250  1.0 3.0
   72    71    73    74   0.92200  1.0 1.0
   72    71    73    74   3.74100 -1.0 2.0
   48    41    44    45  -0.64400  1.0 1.0
   48    41    44    45   0.26850 -1.0 2.0
   48    41    44    51   1.50000 -1.0 2.0
   48    53    57    58  -0.05950  1.0 1.0
   48    53    57    58   0.08850 -1.0 2.0
   48    53    57    58   0.11750  1.0 3.0
   48    53    57    59  -0.05950  1.0 1.0
   48    53    57    59   0.08850 -1.0 2.0
   48    53    57    59   0.11750  1.0 3.0
   48    53    60    61   0.00000  1.0 1.0
   48    53    60    64   0.50000  1.0 1.0
   48    53    60    64   0.27300 -1.0 2.0
   48    53    60    64   0.22500  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.15000  1.0 3.0
   49    48    53    60  -0.03800  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.15000  1.0 3.0
   50    48    53    60  -0.03800  1.0 3.0
   53    60    64    65   1.50000  1.0 1.0
   53    60    64    65   2.45000 -1.0 2.0
   54    53    57    58   0.20000  1.0 3.0
   54    53    57    59   0.20000  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    64   0.00000  1.0 1.0
   57    53    60    61   0.30150 -1.0 2.0
   57    53    60    64   0.40000  1.0 3.0
   60    53    57    58   0.21900  1.0 1.0
   60    53    57    58  -0.24900 -1.0 2.0
   60    53    57    58   0.15200  1.0 3.0
   60    53    57    59   0.21900  1.0 1.0
   60    53    57    59  -0.24900 -1.0 2.0
   60    53    57    59   0.15200  1.0 3.0
   61    60    64    65   0.92200  1.0 1.0
   61    60    64    65   3.74100 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   48    44    41    37   1.10000 -1.0 2.0
   41    51    44    45  10.50000 -1.0 2.0
   44    55    51    52  10.50000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
   66    73    71    72  10.50000 -1.0 2.0
   53    64    60    61  10.50000 -1.0 2.0
END
