* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    130    211     394
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02138    89.72713   -69.55254
    3     1 S   H    _H1_     3     1.02077    90.85558    39.11919
    4     1 S   H    _H2_     4     1.02098    32.85038   163.81376
    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     1.08519   110.01707   179.21765
   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     1.86515    96.47312  -178.13607
   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     1.50382   104.97498    59.97431
   38    37 S   HC   _H14    38     1.08975   117.16225   -73.30110
   39    33 S   CT   _C16    52     1.55119   109.92574   -59.40443
   40    39 S   HC   _H15    53     1.09188   110.47886    57.77793
   41    37 S   CM   _C11    39     1.33660   124.21160   105.38347
   42    39 S   C    _C15    54     1.50998   110.77212   173.25663
   43    42 S   O    _O7_    55     1.22267   125.06374    60.95898
   44    41 S   CO4  _C14    40     1.48800   119.23875     0.07913
   45    44 S   O    _O6_    41     1.23202   119.04595  -169.10561
   46    42 S   OH   _O8_    56     1.35491   110.68297  -118.98953
   47    46 S   HO   _H16    57     0.98146   111.92761   179.87333
   48    41 S   CT   _C6_    62     1.49713   123.01636  -178.44053
   49    48 S   HC   _H6_    63     1.09621   108.68184  -150.01074
   50    48 S   HC   _H7_    64     1.09616   107.52086   -34.57631
   51    44 S   CMA  _C12    42     1.51733   119.60272    12.78517
   52    51 S   OM   _O5_    43     1.26479   113.75609   167.04530
   53    48 S   CT1  _C4_    65     1.53301   112.15684    86.79392
   54    53 S   HC   _H5_    66     1.09722   109.49746    59.97812
   55    33 S   CM   _C13    44     1.52305   107.93076  -178.99946
   56    53 S   NT   _N4_    67     1.46195   109.98361  -179.36820
   57    56 S   H    _H3_    68     0.99563   117.98061   -37.16739
   58    56 S   H    _H4_    69     0.99593   117.92196   156.16210
   59    53 S   C    _C5_    70     1.51979   112.91824   -60.76696
   60    59 S   O    _O1_    71     1.22490   125.23424   -58.51190
   61    55 S   NE   _N5_    45     1.39355   114.46494    80.12459
   62    61 S   H    _H9_    46     1.00895   115.05828   156.54968
   63    59 S   OH   _O33    72     1.35988   112.01760   121.23663
   64    63 S   HO   _H8_    73     0.98216   114.72944  -179.80416
   65    61 S   CT1  _C7_    47     1.44670   126.40768    -5.43996
   66    65 S   HC   _H10    48     1.08824   109.44698   -85.29000
   67    65 S   CT   _C9_    49     1.53641   112.74409    36.06557
   68    67 S   HC   _H11    50     1.10092   107.97451  -139.26759
   69    67 S   HC   _H12    51     1.10125   109.91959   106.97114
   70    65 S   C    _C8_    58     1.49792   108.26949   158.65417
   71    70 S   O    _O3_    59     1.22241   125.09221    -2.23178
   72    70 S   OH   _O4_    60     1.35605   110.71330   177.89021
   73    72 S   HO   _H13    61     0.98049   111.93662   179.90309
  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  11   5   4   3
  19   2   1   1  15   5  15   8  12   8   3   9   4   2   1  11
   5   4   5   2   8   6   6   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    61    67    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    51    52    55    61    62    65    67    68    69    39    40    42    43    46    48  
   35    36  
   36  
    0  
   38    41    44    45    51    55    61    67    39    40    42    48    49    50    53  
   41    44    55    39    48  
   40    42    43    46    47    70    41    51    55    61    65    66    67    68    69  
   42    43    46    55    65    67    68    69  
   44    45    51    52    55    48    49    50    53    54    56    59  
   43    46    47    55    65    67    68    69  
   46    47    67  
   45    51    52    55    61    48    49    50    53  
   51    52    55    48  
   47    67  
    0  
   49    50    53    54    56    57    58    59    60    63    51  
   50    53    54    56    59  
   53    54    56    59  
   52    55    61    62    65  
   55    61  
   54    56    57    58    59    60    63    64  
   56    57    58    59    60    63  
   61    62    65    66    67    70  
   57    58    59    60    63  
   58    59  
   59  
   60    63    64  
   63    64  
   62    65    66    67    68    69    70    71    72  
   65    66    67    70  
   64  
    0  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72  
   68    69    70    71    72  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   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   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   57   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   58   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   61   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   62   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   63   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   72   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   73   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   317.000  1.510
   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   270.000  1.476
   51    52   745.000  1.250
   51    55   465.000  1.376
   55    61   425.000  1.378
   61    62   434.000  1.010
   61    65   382.000  1.448
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    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
   70    71   570.000  1.229
   70    72   450.000  1.364
   72    73   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    56   305.000  1.457
   53    59   317.000  1.522
   56    57   434.000  1.010
   56    58   434.000  1.010
   59    60   570.000  1.229
   59    63   450.000  1.364
   63    64   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  112.20000
   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  124.00000
   33    55    61    75.00000  116.24600
   33    39    67    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  118.65900
   41    48    49    35.00000  109.50000
   41    48    50    35.00000  109.50000
   41    48    53    70.00000  112.02700
   44    51    52    85.00000  116.28000
   44    51    55    65.00000  114.61000
   51    44    45    80.00000  120.81000
   51    55    61    70.00000  124.03900
   55    33    37    70.00000  110.12100
   55    51    52    65.00000  137.10300
   55    61    62    35.00000  114.50000
   55    61    65    50.00000  121.00000
   61    65    66    35.00000  109.50000
   61    65    67    80.00000  111.61500
   61    65    70    70.00000  113.51500
   65    61    62    35.00000  112.50000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    39    58.35000  112.70000
   65    70    71    80.00000  120.40000
   65    70    72    80.00000  116.87500
   67    65    66    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    42    63.00000  111.10000
   69    67    68    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    55    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    67    69    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
   70    65    66    35.00000  109.50000
   70    65    67    63.00000  111.10000
   70    72    73    35.00000  113.00000
   72    70    71   100.00000  123.32000
   48    41    44    65.00000  116.34900
   48    53    54    37.50000  110.70000
   48    53    56    80.00000  111.22000
   48    53    59    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    56    57    50.00000  111.55300
   53    56    58    50.00000  111.55300
   53    59    60    80.00000  120.40000
   53    59    63    80.00000  116.87500
   56    53    54    50.00000  109.55000
   58    56    57    43.60000  106.40000
   59    53    54    35.00000  109.50000
   59    53    56    75.00000  111.54000
   59    63    64    35.00000  113.00000
   63    59    60   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  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    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   0.42700  1.0 1.0
   29    33    55    51  -0.70350 -1.0 2.0
   29    33    55    51  -0.43150  1.0 3.0
   29    33    55    61   0.09700  1.0 1.0
   29    33    55    61   0.15600 -1.0 2.0
   29    33    55    61  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    44   7.00000 -1.0 2.0
   33    37    41    48   7.00000 -1.0 2.0
   33    55    61    62   2.40850 -1.0 2.0
   33    55    61    65   1.00000 -1.0 2.0
   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  -0.28300  1.0 1.0
   37    33    55    51   0.26700 -1.0 2.0
   37    33    55    51  -0.63300  1.0 3.0
   37    33    55    61  -1.35150  1.0 1.0
   37    33    55    61   0.13900 -1.0 2.0
   37    33    55    61   0.25250  1.0 3.0
   37    33    39    67   0.34400  1.0 1.0
   37    33    39    67   0.09450 -1.0 2.0
   37    33    39    67   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  -1.18350  1.0 1.0
   37    41   -44    51   1.45950 -1.0 2.0
   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   1.50000 -1.0 2.0
   41    44    51    55  -1.18350  1.0 1.0
   41    44    51    55   1.45950 -1.0 2.0
   41    48    53    54   0.15000  1.0 3.0
   41    48    53    56   0.59950  1.0 1.0
   41    48    53    56  -0.21400 -1.0 2.0
   41    48    53    56   0.56200  1.0 3.0
   41    48    53    59  -0.98800  1.0 1.0
   41    48    53    59   0.48800 -1.0 2.0
   41    48    53    59   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   7.00000 -1.0 2.0
   44    51    55    61   7.00000 -1.0 2.0
   45    44    51    52  -0.11900  1.0 1.0
   45    44    51    52   0.76850 -1.0 2.0
   45    44    51    52   0.14100  1.0 3.0
   45    44    51    55   1.00000 -1.0 2.0
   51    55    61    62   1.00000 -1.0 2.0
   51    55    61    65  -0.54700  1.0 1.0
   51    55    61    65   1.23000 -1.0 2.0
   52    51    55    33   7.00000 -1.0 2.0
   52    51    55    61   7.00000 -1.0 2.0
   55    33    37    38   0.00000  1.0 1.0
   55    33   -37    41  -0.28300  1.0 1.0
   55    33   -37    41   0.26700 -1.0 2.0
   55    33   -37    41  -0.63300  1.0 3.0
   55    33    39    67   0.34400  1.0 1.0
   55    33    39    67   0.09450 -1.0 2.0
   55    33    39    67   0.11100  1.0 3.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    42  -0.98800  1.0 1.0
   55    33    39    42   0.48800 -1.0 2.0
   55    33    39    42   0.76800  1.0 3.0
   55    61    65    66   0.00000  1.0 1.0
   55    61   -65    67   0.25450  1.0 1.0
   55    61   -65    67  -0.61700 -1.0 2.0
   55    61   -65    67  -0.23550  1.0 3.0
   55    61    65    70  -0.12500  1.0 1.0
   55    61    65    70  -0.12500 -1.0 2.0
   55    61    65    70   0.25000  1.0 3.0
   61    65    67    68   0.22950  1.0 3.0
   61    65    67    69   0.22950  1.0 3.0
   61    65    67    39   1.26750  1.0 1.0
   61    65    67    39  -0.00950 -1.0 2.0
   61    65    67    39   0.30600  1.0 3.0
   61    65    70    71   0.00000  1.0 1.0
   61    65    70    72   0.40000  1.0 3.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    70   0.00000  1.0 1.0
   65    67   -39    33   0.56750  1.0 1.0
   65    67   -39    33  -0.07550 -1.0 2.0
   65    67   -39    33   0.20000  1.0 3.0
   65    67    39    40   0.15000  1.0 3.0
   65    67    39    42  -0.84850  1.0 1.0
   65    67    39    42  -0.22800 -1.0 2.0
   65    67    39    42   0.29250  1.0 3.0
   65    70    72    73   1.50000  1.0 1.0
   65    70    72    73   2.45000 -1.0 2.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    39   0.15000  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    72   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.50000  1.0 1.0
   67    65    70    72   0.27300 -1.0 2.0
   67    65    70    72   0.22500  1.0 3.0
   67    39    42    43   0.30150 -1.0 2.0
   67    39    42    46   0.50000  1.0 1.0
   67    39    42    46   0.27300 -1.0 2.0
   67    39    42    46   0.22500  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    42  -0.11250  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    40   0.15000  1.0 3.0
   69    67    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   0.09850  1.0 1.0
   39    33    55    51   0.15250 -1.0 2.0
   39    33    55    51  -0.50650  1.0 3.0
   39    33   -55    61  -0.93550  1.0 1.0
   39    33   -55    61   0.38900 -1.0 2.0
   39    33   -55    61   0.16950  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
   70    65    67    68  -0.03800  1.0 3.0
   70    65    67    69  -0.03800  1.0 3.0
   70    65    67    39  -0.84850  1.0 1.0
   70    65    67    39  -0.22800 -1.0 2.0
   70    65    67    39   0.29250  1.0 3.0
   71    70    72    73   0.92200  1.0 1.0
   71    70    72    73   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    56    57  -0.05950  1.0 1.0
   48    53    56    57   0.08850 -1.0 2.0
   48    53    56    57   0.11750  1.0 3.0
   48    53    56    58  -0.05950  1.0 1.0
   48    53    56    58   0.08850 -1.0 2.0
   48    53    56    58   0.11750  1.0 3.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    63   0.50000  1.0 1.0
   48    53    59    63   0.27300 -1.0 2.0
   48    53    59    63   0.22500  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   49    48    53    59  -0.03800  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.15000  1.0 3.0
   50    48    53    59  -0.03800  1.0 3.0
   53    59    63    64   1.50000  1.0 1.0
   53    59    63    64   2.45000 -1.0 2.0
   54    53    56    57   0.20000  1.0 3.0
   54    53    56    58   0.20000  1.0 3.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    63   0.00000  1.0 1.0
   56    53    59    60   0.30150 -1.0 2.0
   56    53    59    63   0.40000  1.0 3.0
   59    53    56    57   0.21900  1.0 1.0
   59    53    56    57  -0.24900 -1.0 2.0
   59    53    56    57   0.15200  1.0 3.0
   59    53    56    58   0.21900  1.0 1.0
   59    53    56    58  -0.24900 -1.0 2.0
   59    53    56    58   0.15200  1.0 3.0
   60    59    63    64   0.92200  1.0 1.0
   60    59    63    64   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    52    51    55   1.10000 -1.0 2.0
   33    61    55    51   1.10000 -1.0 2.0
   62    55    61    65   1.00000 -1.0 2.0
   39    46    42    43  10.50000 -1.0 2.0
   65    72    70    71  10.50000 -1.0 2.0
   53    63    59    60  10.50000 -1.0 2.0
END
