* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    141    229     424
    1     0 S   NP   _N1_     1    28.87765    94.09092   -20.91257
    2     1 S   H    _HN1     2     1.02782    85.51449   -83.24914
    3     1 S   H    _H1_     3     1.02946    94.84771    24.75261
    4     1 S   H    _H2_     4     1.02837    31.16779   140.41284
    5     1 S   CT   _CA1     5     1.50127   141.12941   156.44637
    6     5 S   HC   _HA1     6     1.09580   105.23590    50.83291
    7     5 S   CO3  _C1_     7     1.53873   111.92787   -69.27790
    8     7 S   O2Z  _O11     8     1.26373   115.05449   -53.86841
    9     7 S   O2Z  _O12     9     1.26230   114.81523   124.74313
   10     5 S   CT   _CB1    10     1.53047   107.36019   168.53734
   11    10 S   HC   HB11    11     1.09828   109.52393   -50.07505
   12    10 S   HC   HB12    12     1.09818   110.43368    66.51340
   13    10 S   CT   _CG1    13     1.52987   112.53864  -171.05965
   14    13 S   HC   HG11    14     1.09552   110.44510   -59.80858
   15    13 S   HC   HG12    15     1.09634   110.08099    59.40565
   16    13 S   C    _CD1    16     1.51779   112.02013   179.75213
   17    16 S   O    _OE1    17     1.22756   123.20063    -5.06562
   18    16 S   N    _N2_    18     1.38613   111.79514   174.92136
   19    18 S   H    _HN2    19     1.01601   119.07279     2.16961
   20    18 S   CT1  _CA2    20     1.46292   123.19755  -177.74701
   21    20 S   HC   _HA2    21     1.09735   109.32557   -10.28719
   22    20 S   C    _C2_    22     1.53324   108.70477  -126.00921
   23    22 S   O    _O2_    23     1.23030   122.32719  -148.83289
   24    20 S   CT   _CB2    32     1.53562   111.29758   111.54047
   25    24 S   HC   HB21    33     1.09206   109.11659    59.96607
   26    24 S   HC   HB22    34     1.09521   110.19934   177.73566
   27    22 S   N    _N3_    24     1.38356   113.50705    38.73016
   28    27 S   H    _HN3    25     1.01649   119.49084    -3.70607
   29    24 S   S    _SG2    35     1.83073   110.85183   -63.66192
   30    27 S   CT   _CA3    26     1.45287   123.06979   176.88442
   31    30 S   HC   HA31    27     1.09554   107.55059   -63.16218
   32    30 S   HC   HA32    28     1.09561   107.90630    53.22183
   33    29 S   CT   _C15    36     1.92771   103.74975   144.29987
   34    30 S   CO3  _C3_    29     1.52919   114.18388   175.21018
   35    34 S   O2Z  _O31    30     1.26357   116.07184    -0.13122
   36    34 S   O2Z  _O32    31     1.26431   114.40825   179.91844
   37    33 S   CT   _C9_    37     1.56065   105.67922   -67.02961
   38    37 S   HC   _H25    38     1.09555   109.03954    40.32499
   39    33 S   CT   _C12    58     1.54811   109.96296    58.68377
   40    39 S   HC   _H28    59     1.09721   107.99572   177.82723
   41    37 S   CO4  _C6_    39     1.53510   112.72594   -74.32921
   42    41 S   O    _O16    40     1.23182   121.10088   170.21614
   43    37 S   CT   _C16    70     1.53208   116.34950   157.30679
   44    43 S   HC   _H30    71     1.08960   113.38365    60.70521
   45    43 S   HC   _H31    72     1.09416   111.20070   -61.35469
   46    43 S   HC   _H32    73     1.09630   110.56195  -179.74899
   47    41 S   CM   _C4_    41     1.48669   120.34200    -9.00143
   48    47 S   HC   _H21    42     1.08431   117.44447   168.34176
   49    47 S   CM   _C5_    43     1.33934   121.01434   -13.66309
   50    49 S   HC   _H22    44     1.08717   118.73623  -177.43379
   51    33 S   CT   _C14    45     1.60199   107.42467   174.08792
   52    51 S   CT   _C8_    46     1.56391   110.45365   -62.48823
   53    52 S   HC   _H23    47     1.09929   110.42943  -176.54849
   54    52 S   HC   _H24    48     1.09780   111.13889    68.96478
   55    51 S   CT   _C18    66     1.55599   115.07363   177.41275
   56    55 S   HC   _H36    67     1.09211   113.40619    52.70516
   57    55 S   HC   _H37    68     1.09428   112.67338   -70.06356
   58    55 S   HC   _H38    69     1.09838   110.63481   172.20877
   59    52 S   CT   _C13    49     1.54583   113.34317   -54.55466
   60    59 S   HC   _H29    50     1.09543   110.42955   -69.20855
   61    59 S   CT   _C11    51     1.52339   110.39293    53.09329
   62    61 S   HC   _H27    52     1.09857   108.46995    68.29433
   63    59 S   OH   _O19    64     1.42337   109.00533   173.11484
   64    63 S   HO   _H39    65     0.97253   107.64489    58.41826
   65    61 S   CT   _C10    53     1.52287   119.19413  -170.07469
   66    65 S   HC   _H26    54     1.09627   111.52911    44.57982
   67    65 S   CO4  _C7_    55     1.52189    99.89627   158.73741
   68    67 S   O    _O17    56     1.22096   126.16227   160.17506
   69    65 S   CT   _C17    60     1.51818   114.05896   -81.63101
   70    69 S   HC   _H33    61     1.09556   111.57776   -55.92757
   71    69 S   HC   _H34    62     1.09544   110.54365  -175.06902
   72    69 S   HC   _H35    63     1.09365   111.25295    65.24255
   73    67 S   OS   _O18    57     1.37829   109.75535   -20.49803
  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  13   5   4   3
  27   2   1   1  17   9  18   7  10   4   5   2   1   1   6   3
  10   3  12  13   6   5   4   2   1   1  10   5  12   6   2   1
   8   7   6   2   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    51    52    61    73    39    40    55    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    49    50    51    52    53    54    59    61    62    65    67    73    39    40    55    56    57    58    43    44    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    51    52    61    73    39    40    55    43    44    45    46  
   41    42    47    51    39    43    44    45    46  
   40    69    63    55    43    41    49    51    52    59    60    61    62    65    66    67    68    73  
   51    59    61    62    65    67    73  
   42    47    48    49    50    51    43    44    45    46  
   47    48    49    43  
   44    45    46    47    51  
   45    46  
   46  
    0  
   48    49    50    51    52    55  
   49    50    51  
   50    51    52    53    54    59    55    56    57    58  
   51    52    55  
   52    53    54    59    60    61    73    63    55    56    57    58  
   53    54    59    60    61    62    65    63    64    55    56    57    58  
   54    59    60    61    63    55  
   59    60    61    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    65    66    67    73    69    63    64  
   61    62    65    63    64  
   62    65    66    67    68    73    69    70    71    72    63    64  
   65    66    67    73    69    63  
   64    65  
    0  
   66    67    68    73    69    70    71    72  
   67    68    73    69    70    71    72  
   68    73    69    70    71    72  
   73    69  
   70    71    72    73  
   71    72  
   72  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   268.000  1.529
   41    42   570.000  1.229
   41    47   320.000  1.462
   47    48   340.000  1.080
   47    49   549.000  1.340
   49    50   340.000  1.080
   49    51   317.000  1.510
   51    52   268.000  1.529
   51    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    39   268.000  1.529
   65    66   340.000  1.090
   65    67   317.000  1.522
   65    69   268.000  1.529
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    39   320.000  1.410
   39    40   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   63    64   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
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  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    58.35000  112.70000
   33    51    49    70.00000  112.02700
   33    51    52    58.35000  112.70000
   33    51    55    58.35000  112.70000
   33    39    61    58.35000  112.70000
   33    39    73    50.00000  109.50000
   33    39    40    37.50000  110.70000
   37    41    42    80.00000  120.40000
   37    41    47    65.00000  118.62400
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    47    48    40.00000  117.72500
   41    47    49    65.00000  118.96000
   47    41    42    80.00000  123.72100
   47    49    50    35.00000  120.00000
   47    49    51    70.00000  124.00000
   49    47    48    35.00000  120.00000
   49    51    52    70.00000  112.02700
   49    51    55    70.00000  112.02700
   51    33    37    58.35000  112.70000
   51    49    50    35.00000  117.00000
   51    52    53    37.50000  110.70000
   51    52    54    37.50000  110.70000
   51    52    59    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    58.35000  112.70000
   52    59    63    50.00000  109.50000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    65    58.35000  112.70000
   59    61    39    58.35000  112.70000
   59    63    64    55.00000  108.50000
   61    59    60    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    63.00000  111.10000
   61    65    69    58.35000  112.70000
   61    39    73    50.00000  109.50000
   61    39    40    37.50000  110.70000
   65    61    62    37.50000  110.70000
   65    67    68    80.00000  120.40000
   65    67    73    81.00000  111.40000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    65    66    35.00000  109.50000
   67    73    39    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    39    40    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    65    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    65    67    63.00000  111.10000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   55    51    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    37    38    37.50000  110.70000
   43    37    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   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   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    51    49   0.56750  1.0 1.0
   29    33    51    49  -0.07550 -1.0 2.0
   29    33    51    49   0.20000  1.0 3.0
   29    33    51    52   0.44750  1.0 1.0
   29    33    51    52  -0.17800 -1.0 2.0
   29    33    51    52   0.20200  1.0 3.0
   29    33    51    55   0.44750  1.0 1.0
   29    33    51    55  -0.17800 -1.0 2.0
   29    33    51    55   0.20200  1.0 3.0
   29    33    39    61   0.44750  1.0 1.0
   29    33    39    61  -0.17800 -1.0 2.0
   29    33    39    61   0.20200  1.0 3.0
   29    33    39    73   0.56750  1.0 1.0
   29    33    39    73  -0.07550 -1.0 2.0
   29    33    39    73   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.65300  1.0 1.0
   33    37    41    47  -0.03850 -1.0 2.0
   33    37    41    47   0.33900  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    51    52    53   0.15000  1.0 3.0
   33    51    52    54   0.15000  1.0 3.0
   33    51    52    59   0.56750  1.0 1.0
   33    51    52    59  -0.07550 -1.0 2.0
   33    51    52    59   0.20000  1.0 3.0
   33    51    55    56   0.15000  1.0 3.0
   33    51    55    57   0.15000  1.0 3.0
   33    51    55    58   0.15000  1.0 3.0
   37    33    51    49   0.34400  1.0 1.0
   37    33    51    49   0.09450 -1.0 2.0
   37    33    51    49   0.11100  1.0 3.0
   37    33    51    52   0.56750  1.0 1.0
   37    33    51    52  -0.07550 -1.0 2.0
   37    33    51    52   0.20000  1.0 3.0
   37    33    51    55   0.56750  1.0 1.0
   37    33    51    55  -0.07550 -1.0 2.0
   37    33    51    55   0.20000  1.0 3.0
   37    33    39    61   0.56750  1.0 1.0
   37    33    39    61  -0.07550 -1.0 2.0
   37    33    39    61   0.20000  1.0 3.0
   37    33    39    73   0.62750  1.0 1.0
   37    33    39    73  -0.30950 -1.0 2.0
   37    33    39    73   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    41    47    48   0.04550  1.0 1.0
   37    41    47    48   0.83000 -1.0 2.0
   37    41    47    48  -0.04000  1.0 3.0
   37    41   -47    49  -0.33500  1.0 1.0
   37    41   -47    49   1.06600 -1.0 2.0
   37    41   -47    49  -0.14000  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    45   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   41    37    43    44  -0.11250  1.0 3.0
   41    37    43    45  -0.11250  1.0 3.0
   41    37    43    46  -0.11250  1.0 3.0
   41    47    49    50   7.00000 -1.0 2.0
   41    47    49    51   7.00000 -1.0 2.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   1.00000 -1.0 2.0
   47    49   -51    33   0.09850  1.0 1.0
   47    49   -51    33   0.15250 -1.0 2.0
   47    49   -51    33  -0.50650  1.0 3.0
   47    49    51    52   0.09850  1.0 1.0
   47    49    51    52   0.15250 -1.0 2.0
   47    49    51    52  -0.50650  1.0 3.0
   47    49    51    55   0.09850  1.0 1.0
   47    49    51    55   0.15250 -1.0 2.0
   47    49    51    55  -0.50650  1.0 3.0
   48    47    49    50   7.00000 -1.0 2.0
   48    47    49    51   7.00000 -1.0 2.0
   49    51    52    53   0.15000  1.0 3.0
   49    51    52    54   0.15000  1.0 3.0
   49    51    52    59   0.34400  1.0 1.0
   49    51    52    59   0.09450 -1.0 2.0
   49    51    52    59   0.11100  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    57   0.15000  1.0 3.0
   49    51    55    58   0.15000  1.0 3.0
   50    49    51    33   0.00000  1.0 1.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    55   0.00000  1.0 1.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    41  -0.95700  1.0 1.0
   51    33   -37    41  -0.18200 -1.0 2.0
   51    33   -37    41   0.29450  1.0 3.0
   51    33    37    43   0.56750  1.0 1.0
   51    33    37    43  -0.07550 -1.0 2.0
   51    33    37    43   0.20000  1.0 3.0
   51    33    39    61   0.56750  1.0 1.0
   51    33    39    61  -0.07550 -1.0 2.0
   51    33    39    61   0.20000  1.0 3.0
   51    33    39    73   0.62750  1.0 1.0
   51    33    39    73  -0.30950 -1.0 2.0
   51    33    39    73   0.27300  1.0 3.0
   51    33    39    40   0.15000  1.0 3.0
   51    52    59    60   0.15000  1.0 3.0
   51    52   -59    61   0.56750  1.0 1.0
   51    52   -59    61  -0.07550 -1.0 2.0
   51    52   -59    61   0.20000  1.0 3.0
   51    52    59    63   0.86500  1.0 1.0
   51    52    59    63  -0.17500 -1.0 2.0
   51    52    59    63   0.20800  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    59    61    62   0.15000  1.0 3.0
   52    59    61    65   0.56750  1.0 1.0
   52    59    61    65  -0.07550 -1.0 2.0
   52    59    61    65   0.20000  1.0 3.0
   52    59    61    39   0.56750  1.0 1.0
   52    59    61    39  -0.07550 -1.0 2.0
   52    59    61    39   0.20000  1.0 3.0
   52    59    63    64  -0.11600  1.0 1.0
   52    59    63    64  -0.09450 -1.0 2.0
   52    59    63    64   0.21250  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    63   0.23400  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    63   0.23400  1.0 3.0
   59    61    65    66   0.15000  1.0 3.0
   59    61    65    67  -0.95700  1.0 1.0
   59    61    65    67  -0.18200 -1.0 2.0
   59    61    65    67   0.29450  1.0 3.0
   59    61    65    69   0.56750  1.0 1.0
   59    61    65    69  -0.07550 -1.0 2.0
   59    61    65    69   0.20000  1.0 3.0
   59    61   -39    33   0.56750  1.0 1.0
   59    61   -39    33  -0.07550 -1.0 2.0
   59    61   -39    33   0.20000  1.0 3.0
   59    61    39    73   0.62750  1.0 1.0
   59    61    39    73  -0.30950 -1.0 2.0
   59    61    39    73   0.27300  1.0 3.0
   59    61    39    40   0.15000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    65   0.15000  1.0 3.0
   60    59    61    39   0.15000  1.0 3.0
   60    59    63    64   0.19450  1.0 3.0
   61    59    63    64  -0.11600  1.0 1.0
   61    59    63    64  -0.09450 -1.0 2.0
   61    59    63    64   0.21250  1.0 3.0
   61    65    67    68   0.30150 -1.0 2.0
   61    65   -67    73   0.36750  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    71   0.15000  1.0 3.0
   61    65    69    72   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67  -0.11250  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    39    33   0.15000  1.0 3.0
   62    61    39    73   0.23400  1.0 3.0
   62    61    39    40   0.15000  1.0 3.0
   65    61    39    33   0.56750  1.0 1.0
   65    61    39    33  -0.07550 -1.0 2.0
   65    61    39    33   0.20000  1.0 3.0
   65    61   -39    73   0.62750  1.0 1.0
   65    61   -39    73  -0.30950 -1.0 2.0
   65    61   -39    73   0.27300  1.0 3.0
   65    61    39    40   0.15000  1.0 3.0
   65    67   -73    39   1.63150  1.0 1.0
   65    67   -73    39   2.92000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    73   0.00000  1.0 1.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    72   0.15000  1.0 3.0
   67    65    69    70  -0.11250  1.0 3.0
   67    65    69    71  -0.11250  1.0 3.0
   67    65    69    72  -0.11250  1.0 3.0
   67    73    39    33  -0.25900  1.0 1.0
   67    73    39    33  -0.47000 -1.0 2.0
   67    73    39    33   0.11750  1.0 3.0
   67    73   -39    61  -0.25900  1.0 1.0
   67    73   -39    61  -0.47000 -1.0 2.0
   67    73   -39    61   0.11750  1.0 3.0
   67    73    39    40   0.08050  1.0 3.0
   68    67    73    39   3.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    51    49   0.34400  1.0 1.0
   39    33    51    49   0.09450 -1.0 2.0
   39    33    51    49   0.11100  1.0 3.0
   39    33   -51    52   0.56750  1.0 1.0
   39    33   -51    52  -0.07550 -1.0 2.0
   39    33   -51    52   0.20000  1.0 3.0
   39    33    51    55   0.56750  1.0 1.0
   39    33    51    55  -0.07550 -1.0 2.0
   39    33    51    55   0.20000  1.0 3.0
   39    61    65    66   0.15000  1.0 3.0
   39    61   -65    67  -0.95700  1.0 1.0
   39    61   -65    67  -0.18200 -1.0 2.0
   39    61   -65    67   0.29450  1.0 3.0
   39    61    65    69   0.56750  1.0 1.0
   39    61    65    69  -0.07550 -1.0 2.0
   39    61    65    69   0.20000  1.0 3.0
   69    65    67    68   0.30150 -1.0 2.0
   69    65    67    73   0.36750  1.0 3.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    65   0.86500  1.0 1.0
   63    59    61    65  -0.17500 -1.0 2.0
   63    59    61    65   0.20800  1.0 3.0
   63    59    61    39   0.86500  1.0 1.0
   63    59    61    39  -0.17500 -1.0 2.0
   63    59    61    39   0.20800  1.0 3.0
   55    51    52    53   0.15000  1.0 3.0
   55    51    52    54   0.15000  1.0 3.0
   55    51    52    59   0.56750  1.0 1.0
   55    51    52    59  -0.07550 -1.0 2.0
   55    51    52    59   0.20000  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    47   0.65300  1.0 1.0
   43    37    41    47  -0.03850 -1.0 2.0
   43    37    41    47   0.33900  1.0 3.0
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
   37    47    41    42  10.50000 -1.0 2.0
   41    48    47    49   1.10000 -1.0 2.0
   51    50    49    47   1.10000 -1.0 2.0
   65    73    67    68  10.50000 -1.0 2.0
END
