* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    140    230     413
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    93.54093    34.32668
    3     1 S   H    _H1_     3     1.02175    33.31343   153.68239
    4     1 S   H    _H2_     4     1.02098    86.73528   -74.21255
    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     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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     1.83990    97.57011  -158.14033
   34    33 S   Cl   _CL1    37     1.80411   107.26198    57.61500
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C15    38     1.55203   110.17742   -60.04923
   39    38 S   HC   _H15    39     1.09924   109.08005   171.03330
   40    38 S   HC   _H16    40     1.09707   110.85960    54.43702
   41    38 S   CT   _C14    41     1.53867   113.48771   -68.87907
   42    41 S   HC   _H13    42     1.09509   108.25466    68.72595
   43    41 S   HC   _H14    43     1.09615   109.43686  -175.94546
   44    41 S   C4T  _C16    44     1.53134   111.35916   -54.83220
   45    44 S   HC   _H17    45     1.09490   113.96420   -80.89298
   46    44 S   C4T  _C12    46     1.54987   116.27708   141.83132
   47    46 S   HC   _H12    47     1.09654   114.06989   150.59909
   48    44 S   N4   _N6_    50     1.47628   110.43661    45.80991
   49    46 S   C4   _C13    48     1.54457    84.79552   -97.32006
   50    49 S   O    _O33    49     1.20942   136.00991   163.90942
   51    33 S   CT1  _C18    51     1.53958   113.45183   178.16560
   52    51 S   HC   _H18    52     1.10133   108.15768  -173.29024
   53    46 S   N    _N5_    57     1.45783   117.15659    18.55521
   54    53 S   H    _H11    58     1.01024   116.76370  -106.41322
   55    51 S   C    _C19    53     1.49997   118.02661   -55.12057
   56    55 S   OC3  _O3_    54     1.22209   124.97349    59.92326
   57    53 S   C    _C5_    59     1.38068   122.82277    73.49665
   58    57 S   O    _O1_    60     1.22889   125.47458    -0.04846
   59    55 S   OH   _O4_    55     1.35482   110.70017  -119.99541
   60    59 S   HO   _H19    56     0.98162   111.87896   179.89913
   61    57 S   CT1  _C4_    61     1.52438   111.67103  -177.91738
   62    61 S   HC   _H5_    62     1.09631   108.88553   -32.05276
   63    61 S   NT   _N4_    63     1.44302   108.18922  -146.01975
   64    63 S   H    _H3_    64     1.00512   118.95393  -160.44233
   65    63 S   H    _H4_    65     1.00561   118.94253    33.03888
   66    61 S   CA   _C11    66     1.51096   111.79785    90.32816
   67    66 S   CA   _C9_    67     1.39474   120.03194   -90.01979
   68    67 S   HA   _H9_    68     1.08725   120.52405     0.03956
   69    67 S   CA   _C7_    69     1.39440   120.01897   179.97202
   70    69 S   HA   _H7_    70     1.08661   120.01849   179.93439
   71    69 S   CA   _C6_    71     1.39518   120.02287     0.04423
   72    71 S   HA   _H6_    72     1.08558   119.98605   179.89913
   73    71 S   CA   _C8_    73     1.39474   119.95815    -0.04846
   74    73 S   HA   _H8_    74     1.08605   120.00548   179.88465
   75    66 S   CA   _C10    75     1.39518   120.00989    90.00222
   76    75 S   HA   _H10    76     1.08752   120.45185    -0.00000
  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
  15   8   2   1   1  12   6   5  10   5   4  12   6  10   6   8
   7   2   5   3   7   3   3   2   9   4   1   1  11   6   5   2
   1   9   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    51    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    49    48    51    52    55    56    59  
   38    39    40    41    48    51    52    55  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    48    51    52    55  
   40    41    42    43    44    51  
   41    42    43    44    51  
   42    43    44    45    46    47    49    48    51    53  
   43    44    45    46    48  
   44    45    46    48  
   45    46    47    49    50    48    51    52    55    53    54    57  
   46    47    49    48    51    53  
   47    49    50    48    51    53    54    57    58    61  
   49    50    48    53    54    57  
   51    52    55    56    59    53    49    50  
   50    51    52    55    53    54    57  
   51    53  
   52    55    56    59    60  
   55    56    59  
   54    57    58    61    62    63    66  
   57    58    61  
   56    59    60  
   59    60  
   58    61    62    63    64    65    66    67    75  
   61    62    63    66  
   60  
    0  
   62    63    64    65    66    67    68    69    73    75    76  
   63    64    65    66    67    75  
   64    65    66    67    75  
   65    66  
   66  
   67    68    69    70    71    73    74    75    76  
   68    69    70    71    72    73    75    76  
   69    70    71    75  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76  
   73    74    75  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   0.207500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   54   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   55   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   245.000  1.781
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   260.000  1.519
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   305.000  1.456
   46    47   340.000  1.090
   46    49   250.000  1.540
   46    53   337.000  1.449
   49    50   930.000  1.212
   49    48   440.000  1.369
   48    51   337.000  1.449
   51    52   340.000  1.090
   51    55   317.000  1.522
   55    56   570.000  1.229
   55    59   450.000  1.364
   59    60   553.000  0.945
   53    54   434.000  1.010
   53    57   490.000  1.335
   57    58   570.000  1.229
   57    61   317.000  1.522
   61    62   340.000  1.090
   61    63   305.000  1.457
   61    66   275.000  1.474
   63    64   434.000  1.010
   63    65   434.000  1.010
   66    67   469.000  1.400
   66    75   469.000  1.400
   67    68   367.000  1.080
   67    69   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  110.65400
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  108.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    51    48    80.00000  109.70000
   33    51    52    37.50000  110.70000
   33    51    55    63.00000  111.10000
   38    33    34    69.00000  109.80000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    70.00000  112.98000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    45.00000  112.72800
   41    44    46    65.00000  119.52000
   41    44    48    80.00000  110.05700
   43    41    42    33.00000  107.80000
   44    41    42    45.00000  111.22300
   44    41    43    45.00000  111.22300
   44    46    47    37.50000  110.70000
   44    46    49   100.00000   86.36000
   44    46    53    80.00000  110.05700
   44    48    49   100.00000   93.00000
   44    48    51    50.00000  132.70000
   46    44    45    37.50000  110.70000
   46    49    50    60.00000  136.58000
   46    49    48    95.00000   92.72400
   46    53    54    38.00000  118.40000
   46    53    57    50.00000  121.90000
   49    46    47    40.00000  113.37500
   49    48    51    50.00000  132.10000
   48    44    45    50.00000  112.01000
   48    44    46   105.00000   87.49700
   48    49    50    75.00000  131.60000
   48    51    52    35.00000  109.50000
   48    51    55    63.00000  110.10000
   51    33    34    69.00000  109.80000
   51    33    38    58.35000  112.70000
   51    55    56    75.00000  119.65400
   51    55    59    80.00000  116.87500
   55    51    52    35.00000  109.50000
   55    59    60    35.00000  113.00000
   59    55    56    80.00000  121.00000
   53    46    47    50.00000  112.01000
   53    46    49    75.00000  110.24000
   53    57    58    80.00000  122.90000
   53    57    61    70.00000  116.60000
   57    53    54    35.00000  119.80000
   57    61    62    35.00000  109.50000
   57    61    63    75.00000  111.54000
   57    61    66    70.00000  102.60000
   61    57    58    80.00000  120.40000
   61    63    64    50.00000  111.55300
   61    63    65    50.00000  111.55300
   61    66    67    60.00000  125.54000
   61    66    75    60.00000  125.54000
   63    61    62    50.00000  109.55000
   65    63    64    43.60000  106.40000
   66    61    62    45.00000  110.88000
   66    61    63    75.00000  112.33000
   66    67    68    35.00000  120.00000
   66    67    69    63.00000  120.00000
   66    75    73    63.00000  120.00000
   66    75    76    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    63.00000  120.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   75    66    67    63.00000  120.00000
   75    73    74    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    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    51    48   0.71400  1.0 1.0
   29    33    51    48   0.04300 -1.0 2.0
   29    33    51    48   0.01450  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    55  -2.17200  1.0 1.0
   29    33    51    55  -0.85700 -1.0 2.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.31550 -1.0 2.0
   33    38    41    44   0.11250  1.0 3.0
   33    51    55    56   0.27300 -1.0 2.0
   33    51    55    59   0.50000  1.0 1.0
   33    51    55    59   0.27300 -1.0 2.0
   33    51    55    59   0.22500  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.27000  1.0 3.0
   34    33    38    41   0.35600  1.0 1.0
   34    33    38    41  -0.14650 -1.0 2.0
   34    33    38    41   0.33350  1.0 3.0
   34    33    51    48   0.56750  1.0 1.0
   34    33    51    48  -0.07550 -1.0 2.0
   34    33    51    48   0.20000  1.0 3.0
   34    33    51    52   0.27000  1.0 3.0
   34    33    51    55   0.56750  1.0 1.0
   34    33    51    55  -0.07550 -1.0 2.0
   34    33    51    55   0.20000  1.0 3.0
   38    33    51    48   0.42250  1.0 1.0
   38    33    51    48  -0.48100 -1.0 2.0
   38    33    51    48   0.35650  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    55  -0.84850  1.0 1.0
   38    33    51    55  -0.22800 -1.0 2.0
   38    33    51    55   0.29250  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41    44    46   0.04050  1.0 1.0
   38    41    44    46   0.63700 -1.0 2.0
   38    41    44    46   0.17650  1.0 3.0
   38    41   -44    48   0.43900  1.0 1.0
   38    41   -44    48   0.49100 -1.0 2.0
   38    41   -44    48   0.28400  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    47   0.15000  1.0 3.0
   41    44    46    49  -0.95700  1.0 1.0
   41    44    46    49  -0.18200 -1.0 2.0
   41    44    46    49   0.29450  1.0 3.0
   41    44    46    53   0.43900  1.0 1.0
   41    44    46    53   0.49100 -1.0 2.0
   41    44    46    53   0.28400  1.0 3.0
   41    44   -48    49   0.00000  1.0 1.0
   41    44    48    51   0.00000  1.0 1.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.00000  1.0 1.0
   42    41    44    48   0.15000  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.00000  1.0 1.0
   43    41    44    48   0.15000  1.0 3.0
   44    46    49    50  -0.11250  1.0 1.0
   44    46    49    50   0.11400 -1.0 2.0
   44    46    49    50  -0.28950  1.0 3.0
   44    46   -49    48   3.00000 -1.0 2.0
   44    46    53    54   0.00000  1.0 1.0
   44    46    53    57  -0.43950  1.0 1.0
   44    46    53    57  -0.08100 -1.0 2.0
   44    46    53    57   0.03350  1.0 3.0
   44    48   -51    33   0.00000  1.0 1.0
   44    48    51    52   0.00000  1.0 1.0
   44    48    51    55   0.00000  1.0 1.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44   -48    49   0.00000  1.0 1.0
   45    44    48    51   0.00000  1.0 1.0
   46    44   -48    49   0.00000  1.0 1.0
   46    44    48    51   0.00000  1.0 1.0
   46    49   -48    44   3.00000 -1.0 2.0
   46    49   -48    51   3.00000 -1.0 2.0
   46    53    57    58   3.04450 -1.0 2.0
   46    53    57    61   1.15000  1.0 1.0
   46    53    57    61   3.04450 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    48   0.00000  1.0 1.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    57   0.00000  1.0 1.0
   49    46    53    54   0.00000  1.0 1.0
   49    46    53    57  -0.42300  1.0 1.0
   49    46    53    57  -0.07000 -1.0 2.0
   49    46    53    57   0.04150  1.0 3.0
   49    48    51    33   0.00000  1.0 1.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    55   0.00000  1.0 1.0
   50    49   -48    44   3.00000 -1.0 2.0
   50    49    48    51   3.00000 -1.0 2.0
   48    44   -46    47   0.15000  1.0 3.0
   48    44   -46    49   3.00000 -1.0 2.0
   48    44    46    53   2.20050  1.0 1.0
   48    44    46    53   0.63450 -1.0 2.0
   48    44    46    53  -0.91300  1.0 3.0
   48    51    55    56   0.00000  1.0 1.0
   48    51    55    59   0.40000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41   0.56750  1.0 1.0
   51    33   -38    41  -0.07550 -1.0 2.0
   51    33   -38    41   0.20000  1.0 3.0
   51    55    59    60   1.50000  1.0 1.0
   51    55    59    60   2.45000 -1.0 2.0
   52    51    55    56   0.00000  1.0 1.0
   52    51    55    59   0.00000  1.0 1.0
   56    55    59    60   2.45000 -1.0 2.0
   53    46    49    50   0.30150 -1.0 2.0
   53    46   -49    48   0.00000  1.0 1.0
   53    57    61    62   0.00000  1.0 1.0
   53    57    61    63   0.00000  1.0 1.0
   53    57    61    66   0.00000  1.0 1.0
   54    53    57    58   2.45000 -1.0 2.0
   54    53    57    61   2.45000 -1.0 2.0
   57    61    63    64   0.21900  1.0 1.0
   57    61    63    64  -0.24900 -1.0 2.0
   57    61    63    64   0.15200  1.0 3.0
   57    61    63    65   0.21900  1.0 1.0
   57    61    63    65  -0.24900 -1.0 2.0
   57    61    63    65   0.15200  1.0 3.0
   57    61    66    67   0.04300 -1.0 2.0
   57    61    66    75   0.04300 -1.0 2.0
   58    57    61    62   0.00000  1.0 1.0
   58    57    61    63   0.30150 -1.0 2.0
   58    57    61    66   0.30150 -1.0 2.0
   61    66    67    68   3.62500 -1.0 2.0
   61    66    67    69   3.62500 -1.0 2.0
   61    66    75    73   3.62500 -1.0 2.0
   61    66    75    76   3.62500 -1.0 2.0
   62    61    63    64   0.20000  1.0 3.0
   62    61    63    65   0.20000  1.0 3.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    75   0.00000  1.0 1.0
   63    61    66    67   0.18550 -1.0 2.0
   63    61    66    67   0.14000  1.0 3.0
   63    61    66    75   0.18550 -1.0 2.0
   63    61    66    75   0.14000  1.0 3.0
   66    61    63    64   0.76500  1.0 1.0
   66    61    63    64   0.05700 -1.0 2.0
   66    61    63    64  -0.90900  1.0 3.0
   66    61    63    65   0.76500  1.0 1.0
   66    61    63    65   0.05700 -1.0 2.0
   66    61    63    65  -0.90900  1.0 3.0
   66    67    69    70   3.62500 -1.0 2.0
   66    67    69    71   3.62500 -1.0 2.0
   67    66    75    73   3.62500 -1.0 2.0
   67    66    75    76   3.62500 -1.0 2.0
   67    69    71    72   3.62500 -1.0 2.0
   67    69   -71    73   3.62500 -1.0 2.0
   68    67    69    70   3.62500 -1.0 2.0
   68    67    69    71   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73   -75    66   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   74    73    75    66   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    66    67    68   3.62500 -1.0 2.0
   75    66   -67    69   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   46    48    49    50  10.50000 -1.0 2.0
   51    49    48    44   1.00000 -1.0 2.0
   51    59    55    56  10.50000 -1.0 2.0
   54    57    53    46   1.00000 -1.0 2.0
   53    61    57    58  10.50000 -1.0 2.0
   67    75    66    61   4.00000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   73    76    75    66   1.10000 -1.0 2.0
END
