* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     433
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02061    35.86248   134.69585
    3     1 S   H    _H1_     3     1.02116    80.42316   -83.32705
    4     1 S   H    _H2_     4     1.02119    98.42854    24.34472
    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     1.08639   110.48971    58.92616
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   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   _C18    36     1.80437    98.69583   -78.16655
   34    33 S   HC   _H3_    37     1.08381   109.98377   -60.39458
   35    33 S   HC   _H4_    38     1.08452   109.93246    60.38968
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C15    39     1.54640   109.68196   179.97202
   40    39 S   OM   _O16    40     1.32275   105.09954   -55.10179
   41    39 S   C3T  _C9_    41     1.52032   107.21536    60.31952
   42    41 S   HC   _H28    42     1.08043   117.74824   -31.80352
   43    41 S   C3T  _C8_    43     1.48567   110.33739   111.67074
   44    43 S   HC   _H27    44     1.07727   122.16769  -143.22248
   45    43 S   CT   _C14    45     1.50794   111.68830     4.02487
   46    41 S   O3T  _O19    75     1.43468   117.60302   176.21762
   47    45 S   CT   _C7_    46     1.55003   112.08481  -115.74768
   48    47 S   HC   _H26    47     1.09617   112.91157   -63.12466
   49    39 S   CT   _C13    55     1.63736   119.14527   178.09176
   50    45 S   OH   _O22    73     1.43206   106.98455   129.18979
   51    50 S   HO   _H41    74     0.96807   106.13020    59.49279
   52    47 S   CO4  _C4_    48     1.50885   110.27713    59.58663
   53    52 S   O    _O17    49     1.21986   126.47191   -90.86237
   54    49 S   CT   _C17    56     1.57628   110.45320   144.58015
   55    54 S   HC   _H34    57     1.07254   107.32028    53.02000
   56    54 S   HC   _H35    58     1.07354   107.31626   -66.90876
   57    54 S   HC   _H36    59     1.07287   107.32305   173.03286
   58    52 S   OS   _O18    50     1.37395   108.14531    87.62540
   59    58 S   CT   _C10    51     1.44065   108.58413     3.30405
   60    59 S   HC   _H29    52     1.09541   107.20704   145.87919
   61    59 S   CT   _C11    53     1.54231   110.32358   -92.19393
   62    61 S   HC   _H30    54     1.09702   105.09945   178.60492
   63    47 S   CT   _C12    62     1.53167   113.56345   169.46894
   64    61 S   OH   _O20    60     1.42212   109.37297   -70.49568
   65    64 S   HO   _H39    61     0.97102   106.72447   -59.99184
   66    63 S   CM   _C6_    63     1.49212   117.25553    53.32492
   67    63 S   OH   _O21    71     1.43415   109.98611   173.18721
   68    67 S   HO   _H40    72     0.96769   106.09427   172.96876
   69    66 S   CM   _C5_    64     1.34101   121.93739    29.95130
   70    69 S   HC   _H24    65     1.08496   121.41725   179.96574
   71    69 S   HC   _H25    66     1.08475   121.33413     0.07913
   72    66 S   CT   _C16    67     1.50065   116.18805  -150.03208
   73    72 S   HC   _H31    68     1.09500   110.24823   -89.99810
   74    72 S   HC   _H32    69     1.09445   110.25539    29.86183
   75    72 S   HC   _H33    70     1.09501   112.14817   149.93766
  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   7   5   4   3
  12   5   4   2   1   1  18   8  10   5  12   5  20   3  17   9
  15   5   1   8   3   7   3   2   1   8  11   6   6   3  11   1
   1   9   3   1   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    61    49    54    46  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    59    61    62    49    54    55    56    57    64    50    46  
   41    42    43    45    61    49    54    46  
   42    43    44    45    47    61    49    54    50    46  
   43    44    45    49    46  
   44    45    47    48    52    61    49    54    63    50    51    46  
   45    47    49    50    46  
   47    48    52    53    58    59    61    62    49    54    55    56    57    64    63    66    67    50    51    46  
   47    49    50  
   48    52    53    58    59    60    61    49    54    63    66    69    72    67    68    50    51  
   52    53    58    59    49    63    66    67    50  
   54    55    56    57    64    65    63    50    51    52    58    59    60    61    62  
   51    52    54    61    63  
    0  
   53    58    59    60    61    63    66    67  
   58    59    63  
   55    56    57    64    59    61    62  
   56    57    61  
   57    61  
   61  
   59    60    61    62    64    63    66    67  
   60    61    62    64    65    63    66    69    72    67    68  
   61    62    64    63    66    67  
   62    64    65    63    66    67  
   64    65    63  
   66    69    70    71    72    73    74    75    67    68    64  
   65  
    0  
   69    70    71    72    73    74    75    67    68  
   68    69    72  
    0  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   275.000  1.510
   39    49   268.000  1.529
   41    42   340.000  1.088
   41    43   260.000  1.509
   41    46   335.000  1.432
   43    44   340.000  1.088
   43    45   275.000  1.510
   43    46   335.000  1.432
   45    47   268.000  1.529
   45    49   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   47    63   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   268.000  1.529
   61    62   340.000  1.090
   61    49   268.000  1.529
   61    64   320.000  1.410
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   64    65   553.000  0.945
   63    66   317.000  1.510
   63    67   320.000  1.410
   66    69   549.000  1.340
   66    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   67    68   553.000  0.945
   50    51   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    70.00000  112.37300
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    40.00000  115.04500
   39    41    43    60.00000  120.94000
   39    41    46    80.00000  116.47100
   39    49    45    58.35000  112.70000
   39    49    61    58.35000  112.70000
   39    49    54    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  117.20000
   41    43    45    60.00000  120.94000
   41    43    46    15.00000   60.43100
   41    46    43    15.00000   59.14900
   43    41    42    37.50000  117.20000
   43    45    47    70.00000  112.37300
   43    45    49    70.00000  112.37300
   43    45    50    50.00000  109.50000
   45    43    44    40.00000  115.04500
   45    47    48    37.50000  110.70000
   45    47    52    63.00000  111.10000
   45    47    63    58.35000  112.70000
   45    49    61    58.35000  112.70000
   45    49    54    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    52    53    80.00000  120.40000
   47    52    58    81.00000  111.40000
   47    63    59    58.35000  112.70000
   47    63    66    70.00000  112.02700
   47    63    67    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   58    59    63    50.00000  109.50000
   59    61    62    37.50000  110.70000
   59    61    49    58.35000  112.70000
   59    61    64    50.00000  109.50000
   59    63    66    70.00000  112.02700
   59    63    67    50.00000  109.50000
   61    59    60    37.50000  110.70000
   61    49    54    58.35000  112.70000
   61    64    65    55.00000  108.50000
   49    39    40    50.00000  109.50000
   49    39    41    70.00000  112.37300
   49    45    47    58.35000  112.70000
   49    61    62    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    49    50.00000  109.50000
   63    47    48    37.50000  110.70000
   63    47    52    63.00000  111.10000
   63    59    60    37.50000  110.70000
   63    59    61    58.35000  112.70000
   63    66    69    70.00000  124.00000
   63    66    72    65.00000  117.92700
   63    67    68    55.00000  108.50000
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    66    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   67    63    66    90.00000  110.39200
   50    45    47    50.00000  109.50000
   50    45    49    50.00000  109.50000
   46    41    42    50.00000  114.27700
   46    41    43    15.00000   60.43100
   46    43    44    50.00000  114.27700
   46    43    45    80.00000  116.47100
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.07850  1.0 1.0
   33    39    41    43  -0.03950 -1.0 2.0
   33    39    41    43   0.67350  1.0 3.0
   33    39    41    46   0.02550  1.0 1.0
   33    39    41    46  -0.02600 -1.0 2.0
   33    39    41    46   1.20400  1.0 3.0
   33    39    49    45   0.56750  1.0 1.0
   33    39    49    45  -0.07550 -1.0 2.0
   33    39    49    45   0.20000  1.0 3.0
   33    39    49    61   0.56750  1.0 1.0
   33    39    49    61  -0.07550 -1.0 2.0
   33    39    49    61   0.20000  1.0 3.0
   33    39    49    54   0.56750  1.0 1.0
   33    39    49    54  -0.07550 -1.0 2.0
   33    39    49    54   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    45   0.56750  1.0 1.0
   39    41   -43    45  -0.07550 -1.0 2.0
   39    41   -43    45   0.20000  1.0 3.0
   39    41   -43    46   0.02550  1.0 1.0
   39    41   -43    46  -0.02600 -1.0 2.0
   39    41   -43    46   1.20400  1.0 3.0
   39    41   -46    43   0.06250  1.0 1.0
   39    41   -46    43  -0.01100 -1.0 2.0
   39    41   -46    43   0.28050  1.0 3.0
   39    49    54    55   0.15000  1.0 3.0
   39    49    54    56   0.15000  1.0 3.0
   39    49    54    57   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43  -0.26800  1.0 1.0
   40    39    41    43   0.69150 -1.0 2.0
   40    39    41    43  -0.48750  1.0 3.0
   40    39    41    46   1.11900  1.0 1.0
   40    39    41    46  -1.16350 -1.0 2.0
   40    39    41    46  -0.34150  1.0 3.0
   40    39    49    45   0.62750  1.0 1.0
   40    39    49    45  -0.30950 -1.0 2.0
   40    39    49    45   0.27300  1.0 3.0
   40    39    49    61   0.62750  1.0 1.0
   40    39    49    61  -0.30950 -1.0 2.0
   40    39    49    61   0.27300  1.0 3.0
   40    39    49    54   0.62750  1.0 1.0
   40    39    49    54  -0.30950 -1.0 2.0
   40    39    49    54   0.27300  1.0 3.0
   41    39   -49    45   0.47050  1.0 1.0
   41    39   -49    45   0.03900 -1.0 2.0
   41    39   -49    45   0.20100  1.0 3.0
   41    39    49    61   0.47050  1.0 1.0
   41    39    49    61   0.03900 -1.0 2.0
   41    39    49    61   0.20100  1.0 3.0
   41    39    49    54   0.47050  1.0 1.0
   41    39    49    54   0.03900 -1.0 2.0
   41    39    49    54   0.20100  1.0 3.0
   41    43    45    47   0.07850  1.0 1.0
   41    43    45    47  -0.03950 -1.0 2.0
   41    43    45    47   0.67350  1.0 3.0
   41    43   -45    49   0.07850  1.0 1.0
   41    43   -45    49  -0.03950 -1.0 2.0
   41    43   -45    49   0.67350  1.0 3.0
   41    43    45    50   0.86500  1.0 1.0
   41    43    45    50  -0.17500 -1.0 2.0
   41    43    45    50   0.20800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41   -43    46   0.23400  1.0 3.0
   42    41   -46    43   0.36800  1.0 3.0
   43    45    47    48   0.15000  1.0 3.0
   43    45    47    52  -0.95700  1.0 1.0
   43    45    47    52  -0.18200 -1.0 2.0
   43    45    47    52   0.29450  1.0 3.0
   43    45    47    63   0.47050  1.0 1.0
   43    45    47    63   0.03900 -1.0 2.0
   43    45    47    63   0.20100  1.0 3.0
   43    45   -49    39   0.47050  1.0 1.0
   43    45   -49    39   0.03900 -1.0 2.0
   43    45   -49    39   0.20100  1.0 3.0
   43    45    49    61   0.47050  1.0 1.0
   43    45    49    61   0.03900 -1.0 2.0
   43    45    49    61   0.20100  1.0 3.0
   43    45    49    54   0.47050  1.0 1.0
   43    45    49    54   0.03900 -1.0 2.0
   43    45    49    54   0.20100  1.0 3.0
   43    45    50    51  -0.11600  1.0 1.0
   43    45    50    51  -0.09450 -1.0 2.0
   43    45    50    51   0.21250  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    50   0.23400  1.0 3.0
   44    43   -46    41   0.36800  1.0 3.0
   45    43   -46    41   0.06250  1.0 1.0
   45    43   -46    41  -0.01100 -1.0 2.0
   45    43   -46    41   0.28050  1.0 3.0
   45    47    52    53   0.30150 -1.0 2.0
   45    47    52    58   0.36750  1.0 3.0
   45    47    63    59   0.56750  1.0 1.0
   45    47    63    59  -0.07550 -1.0 2.0
   45    47    63    59   0.20000  1.0 3.0
   45    47    63    66   0.34400  1.0 1.0
   45    47    63    66   0.09450 -1.0 2.0
   45    47    63    66   0.11100  1.0 3.0
   45    47    63    67   0.86500  1.0 1.0
   45    47    63    67  -0.17500 -1.0 2.0
   45    47    63    67   0.20800  1.0 3.0
   45    49    54    55   0.15000  1.0 3.0
   45    49    54    56   0.15000  1.0 3.0
   45    49    54    57   0.15000  1.0 3.0
   47    45    49    39   0.56750  1.0 1.0
   47    45    49    39  -0.07550 -1.0 2.0
   47    45    49    39   0.20000  1.0 3.0
   47    45    49    61   0.56750  1.0 1.0
   47    45    49    61  -0.07550 -1.0 2.0
   47    45    49    61   0.20000  1.0 3.0
   47    45    49    54   0.56750  1.0 1.0
   47    45    49    54  -0.07550 -1.0 2.0
   47    45    49    54   0.20000  1.0 3.0
   47    45    50    51  -0.11600  1.0 1.0
   47    45    50    51  -0.09450 -1.0 2.0
   47    45    50    51   0.21250  1.0 3.0
   47    52   -58    59   1.63150  1.0 1.0
   47    52   -58    59   2.92000 -1.0 2.0
   47    63    66    69   0.09850  1.0 1.0
   47    63    66    69   0.15250 -1.0 2.0
   47    63    66    69  -0.50650  1.0 3.0
   47    63    66    72   0.46850  1.0 1.0
   47    63    66    72   0.08550 -1.0 2.0
   47    63    66    72   0.09800  1.0 3.0
   47    63    67    68  -0.11600  1.0 1.0
   47    63    67    68  -0.09450 -1.0 2.0
   47    63    67    68   0.21250  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    58   0.00000  1.0 1.0
   48    47    63    59   0.15000  1.0 3.0
   48    47    63    66   0.15000  1.0 3.0
   48    47    63    67   0.23400  1.0 3.0
   52    47   -63    59  -0.95700  1.0 1.0
   52    47   -63    59  -0.18200 -1.0 2.0
   52    47   -63    59   0.29450  1.0 3.0
   52    47    63    66  -0.98800  1.0 1.0
   52    47    63    66   0.48800 -1.0 2.0
   52    47    63    66   0.76800  1.0 3.0
   52    47    63    67  -0.09450  1.0 1.0
   52    47    63    67  -1.12950 -1.0 2.0
   52    47    63    67   0.54000  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   52    58   -59    63  -0.25900  1.0 1.0
   52    58   -59    63  -0.47000 -1.0 2.0
   52    58   -59    63   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    49   0.62750  1.0 1.0
   58    59    61    49  -0.30950 -1.0 2.0
   58    59    61    49   0.27300  1.0 3.0
   58    59    61    64   3.69350  1.0 1.0
   58    59    61    64  -1.82950 -1.0 2.0
   58    59   -63    47   0.62750  1.0 1.0
   58    59   -63    47  -0.30950 -1.0 2.0
   58    59   -63    47   0.27300  1.0 3.0
   58    59    63    66   0.61850  1.0 1.0
   58    59    63    66  -0.22750 -1.0 2.0
   58    59    63    66   0.15300  1.0 3.0
   58    59    63    67   3.69350  1.0 1.0
   58    59    63    67  -1.82950 -1.0 2.0
   59    61    49    39   0.56750  1.0 1.0
   59    61    49    39  -0.07550 -1.0 2.0
   59    61    49    39   0.20000  1.0 3.0
   59    61   -49    45   0.56750  1.0 1.0
   59    61   -49    45  -0.07550 -1.0 2.0
   59    61   -49    45   0.20000  1.0 3.0
   59    61    49    54   0.56750  1.0 1.0
   59    61    49    54  -0.07550 -1.0 2.0
   59    61    49    54   0.20000  1.0 3.0
   59    61    64    65  -0.11600  1.0 1.0
   59    61    64    65  -0.09450 -1.0 2.0
   59    61    64    65   0.21250  1.0 3.0
   59    63    66    69   0.09850  1.0 1.0
   59    63    66    69   0.15250 -1.0 2.0
   59    63    66    69  -0.50650  1.0 3.0
   59    63    66    72   0.46850  1.0 1.0
   59    63    66    72   0.08550 -1.0 2.0
   59    63    66    72   0.09800  1.0 3.0
   59    63    67    68  -0.11600  1.0 1.0
   59    63    67    68  -0.09450 -1.0 2.0
   59    63    67    68   0.21250  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    49   0.15000  1.0 3.0
   60    59    61    64   0.23400  1.0 3.0
   60    59    63    47   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    67   0.23400  1.0 3.0
   61    59   -63    47   0.56750  1.0 1.0
   61    59   -63    47  -0.07550 -1.0 2.0
   61    59   -63    47   0.20000  1.0 3.0
   61    59    63    66   0.34400  1.0 1.0
   61    59    63    66   0.09450 -1.0 2.0
   61    59    63    66   0.11100  1.0 3.0
   61    59    63    67   0.86500  1.0 1.0
   61    59    63    67  -0.17500 -1.0 2.0
   61    59    63    67   0.20800  1.0 3.0
   61    49    54    55   0.15000  1.0 3.0
   61    49    54    56   0.15000  1.0 3.0
   61    49    54    57   0.15000  1.0 3.0
   62    61    49    39   0.15000  1.0 3.0
   62    61    49    45   0.15000  1.0 3.0
   62    61    49    54   0.15000  1.0 3.0
   62    61    64    65   0.19450  1.0 3.0
   49    39    41    42   0.15000  1.0 3.0
   49    39   -41    43   0.07850  1.0 1.0
   49    39   -41    43  -0.03950 -1.0 2.0
   49    39   -41    43   0.67350  1.0 3.0
   49    39    41    46   0.02550  1.0 1.0
   49    39    41    46  -0.02600 -1.0 2.0
   49    39    41    46   1.20400  1.0 3.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    52  -0.95700  1.0 1.0
   49    45    47    52  -0.18200 -1.0 2.0
   49    45    47    52   0.29450  1.0 3.0
   49    45    47    63   0.56750  1.0 1.0
   49    45    47    63  -0.07550 -1.0 2.0
   49    45    47    63   0.20000  1.0 3.0
   49    45    50    51  -0.11600  1.0 1.0
   49    45    50    51  -0.09450 -1.0 2.0
   49    45    50    51   0.21250  1.0 3.0
   49    61    64    65  -0.11600  1.0 1.0
   49    61    64    65  -0.09450 -1.0 2.0
   49    61    64    65   0.21250  1.0 3.0
   64    61    49    39   0.86500  1.0 1.0
   64    61    49    39  -0.17500 -1.0 2.0
   64    61    49    39   0.20800  1.0 3.0
   64    61    49    45   0.86500  1.0 1.0
   64    61    49    45  -0.17500 -1.0 2.0
   64    61    49    45   0.20800  1.0 3.0
   64    61    49    54   0.86500  1.0 1.0
   64    61    49    54  -0.17500 -1.0 2.0
   64    61    49    54   0.20800  1.0 3.0
   63    47    52    53   0.30150 -1.0 2.0
   63    47   -52    58   0.36750  1.0 3.0
   63    59    61    62   0.15000  1.0 3.0
   63    59   -61    49   0.56750  1.0 1.0
   63    59   -61    49  -0.07550 -1.0 2.0
   63    59   -61    49   0.20000  1.0 3.0
   63    59    61    64   0.86500  1.0 1.0
   63    59    61    64  -0.17500 -1.0 2.0
   63    59    61    64   0.20800  1.0 3.0
   63    66    69    70   7.00000 -1.0 2.0
   63    66    69    71   7.00000 -1.0 2.0
   63    66    72    73   0.34800  1.0 3.0
   63    66    72    74   0.34800  1.0 3.0
   63    66    72    75   0.34800  1.0 3.0
   66    63    67    68  -0.07800  1.0 1.0
   66    63    67    68  -0.21500 -1.0 2.0
   66    63    67    68  -0.03150  1.0 3.0
   69    66    72    73   0.00000  1.0 1.0
   69    66    72    74   0.00000  1.0 1.0
   69    66    72    75   0.00000  1.0 1.0
   72    66    69    70   7.00000 -1.0 2.0
   72    66    69    71   7.00000 -1.0 2.0
   67    63    66    69   0.67800  1.0 1.0
   67    63    66    69   0.47050 -1.0 2.0
   67    63    66    69  -0.62500  1.0 3.0
   67    63    66    72   0.18000  1.0 1.0
   67    63    66    72   0.16450 -1.0 2.0
   67    63    66    72   0.04450  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    52  -0.09450  1.0 1.0
   50    45    47    52  -1.12950 -1.0 2.0
   50    45    47    52   0.54000  1.0 3.0
   50    45    47    63   0.86500  1.0 1.0
   50    45    47    63  -0.17500 -1.0 2.0
   50    45    47    63   0.20800  1.0 3.0
   50    45    49    39   0.86500  1.0 1.0
   50    45    49    39  -0.17500 -1.0 2.0
   50    45    49    39   0.20800  1.0 3.0
   50    45    49    61   0.86500  1.0 1.0
   50    45    49    61  -0.17500 -1.0 2.0
   50    45    49    61   0.20800  1.0 3.0
   50    45    49    54   0.86500  1.0 1.0
   50    45    49    54  -0.17500 -1.0 2.0
   50    45    49    54   0.20800  1.0 3.0
   46    41   -43    44   0.23400  1.0 3.0
   46    41   -43    45   0.02550  1.0 1.0
   46    41   -43    45  -0.02600 -1.0 2.0
   46    41   -43    45   1.20400  1.0 3.0
   46    43    45    47   0.02550  1.0 1.0
   46    43    45    47  -0.02600 -1.0 2.0
   46    43    45    47   1.20400  1.0 3.0
   46    43   -45    49   0.02550  1.0 1.0
   46    43   -45    49  -0.02600 -1.0 2.0
   46    43   -45    49   1.20400  1.0 3.0
   46    43    45    50   3.69350  1.0 1.0
   46    43    45    50  -1.82950 -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
   38    30    36    37  10.50000 -1.0 2.0
   47    58    52    53  10.50000 -1.0 2.0
   63    72    66    69  15.00000 -1.0 2.0
   70    71    69    66  15.00000 -1.0 2.0
END
