* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    192     358
    1     0 S   NP   _N1_     1    33.12632    98.56144   -19.05149
    2     1 S   H    _HN1     2     1.03267   108.31298  -101.22944
    3     1 S   H    _H1_     3     1.02931   103.99530   145.79677
    4     1 S   H    _H2_     4     1.03778   123.16934    27.04422
    5     1 S   CT   _CA1     5     1.49226    10.47636    15.85341
    6     5 S   HC   _HA1     6     1.09705   105.15267   126.34796
    7     5 S   CO3  _C1_     7     1.54689   112.38535    11.39726
    8     7 S   O2Z  _O11     8     1.26196   116.71222  -139.87199
    9     7 S   O2Z  _O12     9     1.26656   114.21330    41.16458
   10     5 S   CT   _CB1    10     1.53528   109.54004  -116.16392
   11    10 S   HC   HB11    11     1.09765   109.76669    64.43810
   12    10 S   HC   HB12    12     1.09812   107.91559   179.52071
   13    10 S   CT   _CG1    13     1.53124   114.97825   -61.45278
   14    13 S   HC   HG11    14     1.09815   108.82568  -140.63188
   15    13 S   HC   HG12    15     1.09262   112.05836   -24.14140
   16    13 S   C    _CD1    16     1.51561   112.40259   102.92892
   17    16 S   O    _OE1    17     1.23051   121.14004    70.67043
   18    16 S   N    _N2_    18     1.38251   114.24598  -109.69530
   19    18 S   H    _HN2    19     1.02253   119.72878     2.80575
   20    18 S   CT1  _CA2    20     1.45906   121.96118  -176.56567
   21    20 S   HC   _HA2    21     1.09725   108.12105    35.57757
   22    20 S   C    _C2_    22     1.52862   108.32688   -80.83607
   23    22 S   O    _O2_    23     1.23125   120.98420   137.39006
   24    20 S   CT   _CB2    32     1.53133   113.15963   158.32734
   25    24 S   HC   HB21    33     1.09145   110.26074    66.25879
   26    24 S   HC   HB22    34     1.09600   109.69217  -177.04766
   27    22 S   N    _N3_    24     1.38450   114.37146   -48.96145
   28    27 S   H    _HN3    25     1.02030   119.75746     0.30519
   29    24 S   S    _SG2    35     1.82689   112.56298   -57.23695
   30    27 S   CT   _CA3    26     1.45333   122.71583   179.23664
   31    30 S   HC   HA31    27     1.09552   108.52340    38.85436
   32    30 S   HC   HA32    28     1.09472   107.28067   155.84364
   33    29 S   CT   _C11    36     1.82854    99.48872   145.17115
   34    33 S   HC   _H5_    37     1.09622   108.20151    42.34404
   35    30 S   CO3  _C3_    29     1.53050   113.95171   -83.90230
   36    35 S   O2Z  _O31    30     1.26417   115.95067   -29.43361
   37    35 S   O2Z  _O32    31     1.26468   114.64554   151.38217
   38    33 S   CT   _C10    38     1.52675   113.53088   -81.23624
   39    38 S   HC   _H4_    39     1.10085   108.44817   -44.14658
   40    38 S   CO   _C9_    40     1.53470   101.91073  -158.15301
   41    40 S   HC   _H3_    41     1.09561   110.44910   143.00665
   42    38 S   OS   _O36    65     1.41766   111.13994    79.92149
   43    40 S   N*   _N7_    42     1.45204   116.23625   -94.37352
   44    40 S   OS   _O34    57     1.44202   106.87372    26.57812
   45    42 S   PR   _P1_    66     1.61944   119.11341  -151.79763
   46    45 S   OM   _O38    67     1.63918    98.77943    61.43280
   47    45 S   OM   _O37    68     1.64097    97.43696   158.98340
   48    43 S   CRAB _C4_    43     1.37415   127.25657    77.78815
   49    48 S   HA   _H7_    44     1.08078   122.60961     0.42613
   50    33 S   CT   _C12    58     1.52613   112.15359   164.97161
   51    50 S   HC   _H6_    59     1.09799   111.95668    43.88748
   52    48 S   NNA  _N4_    45     1.31856   112.45499  -179.56931
   53    50 S   CT   _C13    60     1.52379   113.92685   -81.89232
   54    53 S   HC   _H9_    61     1.09377   111.44071    54.26591
   55    53 S   HC   _H10    62     1.09448   111.15827   -68.11401
   56    52 S   CB   _C5_    46     1.36343   103.99424    -0.12667
   57    53 S   OH   _O35    63     1.42450   109.06942   173.25235
   58    57 S   HO   _H11    64     0.97235   107.05796   178.77987
   59    43 S   CN   _C8_    47     1.36886   126.09493  -102.45372
   60    59 S   NNC  _N6_    48     1.35382   126.82417     0.00000
   61    60 S   CDX  _C7_    49     1.31278   113.44483   178.61888
   62    61 S   NNB  _N5_    50     1.40734   122.80365     0.45111
   63    62 S   H    _H8_    51     1.01361   117.96709   179.94405
   64    61 S   NND  _N8_    54     1.36696   121.62600  -179.60534
   65    64 S   H    _H12    55     1.01384   120.31083     0.77152
   66    64 S   H    _H13    56     1.01264   122.10578   179.44433
   67    56 S   C    _C6_    52     1.43826   128.76161   179.49410
   68    67 S   O    _O33    53     1.22516   124.16725     0.40686
  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  14   7  14   6   6  10   8   2   1   1   6
   3   6   4   6   4   3   2   7   1   1   6   7   7   6   3   3
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    50    51    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    44    50    51    53    54    55    57    42    45  
   38    39    40    44    50    51    53    42  
   36    37  
   37  
    0  
   39    40    41    43    48    59    44    50    51    53    42    45    46    47  
   40    41    43    44    50    42    45  
   41    43    48    49    52    56    59    60    44    50    51    53    42    45  
   43    48    59    44    50    42  
   45    46    47    43    44    50  
   48    49    52    56    59    60    61    67    44    50  
   50    51    53    54    55    57    48    59  
   46    47  
   47  
    0  
   49    52    56    59    60    67  
   52    56    59  
   51    53    54    55    57    58  
   53    54    55    57  
   56    59    60    62    67    68  
   54    55    57    58  
   55    57    58  
   57    58  
   59    60    61    62    63    67    68  
   58  
    0  
   60    61    62    67    68    64  
   61    62    63    67    64    65    66  
   62    63    67    68    64    65    66  
   63    67    68    64    65    66  
   67    68    64  
   65    66    67  
   66  
    0  
   68  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -1.312500   1.7660   1.5600   0.020110767  -0.896042159
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   48   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   53   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0800   0.120000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0800   0.340000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.2500   0.1700  -0.510000   1.9250   1.7000   0.054801302  -2.445846770
   61   3.5000   0.0800   0.460000   2.1120   1.8750   0.001000000  -0.126889456
   62   3.2500   0.1700  -0.560000   2.1120   1.8750   0.051222218  -2.220205820
   63   0.0000   0.0000   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.800000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   66   0.5000   0.0300   0.400000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.520000   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.510000   1.5250   1.4250   0.001000000  -1.480495490
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   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   250.000  1.527
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   275.000  1.479
   40    44   320.000  1.380
   43    48   440.000  1.371
   43    59   436.000  1.374
   48    49   367.000  1.080
   48    52   529.000  1.304
   52    56   414.000  1.391
   56    59   520.000  1.370
   56    67   447.000  1.419
   59    60   461.000  1.354
   60    61   585.000  1.311
   61    62   427.000  1.381
   61    64   481.000  1.340
   62    63   434.000  1.010
   62    67   418.000  1.388
   67    68   570.000  1.229
   64    65   434.000  1.010
   64    66   434.000  1.010
   44    50   320.000  1.410
   50    51   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   320.000  1.410
   57    58   553.000  0.945
   42    45   325.000  1.672
   45    46   325.000  1.672
   45    47   325.000  1.672
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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  109.43000
   33    38    42    50.00000  109.50000
   33    50    44    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    53    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    45.00000  112.01100
   38    40    43    75.00000  107.44000
   38    40    44    90.00000  108.56700
   38    42    45   100.00000  120.50000
   40    38    39    45.00000  108.72000
   40    43    48    70.00000  128.80000
   40    43    59    70.00000  125.80000
   40    44    50    60.00000  109.50000
   43    40    41    55.00000  103.44000
   43    48    49    35.00000  123.05000
   43    48    52    70.00000  113.90000
   43    59    56    70.00000  106.20000
   43    59    60    70.00000  126.20000
   48    52    56    70.00000  103.80000
   52    48    49    35.00000  123.05000
   52    56    59    70.00000  110.40000
   52    56    67    70.00000  130.00000
   56    59    60    70.00000  127.70000
   56    67    62    70.00000  111.30000
   56    67    68    80.00000  128.80000
   59    43    48    70.00000  105.40000
   59    60    61    70.00000  112.20000
   60    61    62    70.00000  123.30000
   60    61    64    70.00000  119.30000
   61    62    63    35.00000  118.00000
   61    62    67    70.00000  125.20000
   61    64    65    35.00000  120.00000
   61    64    66    35.00000  120.00000
   62    67    68    80.00000  120.60000
   67    56    59    85.00000  119.20000
   67    62    63    35.00000  116.80000
   64    61    62    70.00000  116.00000
   66    64    65    35.00000  120.00000
   44    40    41    35.00000  109.50000
   44    40    43   105.00000  106.22000
   44    50    51    35.00000  109.50000
   44    50    53    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    50.00000  109.50000
   53    50    51    37.50000  110.70000
   53    57    58    55.00000  108.50000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  109.38000
   42    45    46    45.00000  102.60000
   42    45    47    45.00000  102.60000
   47    45    46    35.00000   94.00000
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   0.32350  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43  -0.64600  1.0 1.0
   33    38    40    43   0.58400 -1.0 2.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    42    45  -2.65550  1.0 1.0
   33    38    42    45  -0.22350 -1.0 2.0
   33    38    42    45   0.24150  1.0 3.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    57   0.86500  1.0 1.0
   33    50    53    57  -0.17500 -1.0 2.0
   33    50    53    57   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    44   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.15000  1.0 3.0
   38    33   -50    44   0.62750  1.0 1.0
   38    33   -50    44  -0.30950 -1.0 2.0
   38    33   -50    44   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    53   0.56750  1.0 1.0
   38    33    50    53  -0.07550 -1.0 2.0
   38    33    50    53   0.20000  1.0 3.0
   38    40    43    48   1.10250  1.0 1.0
   38    40    43    48   0.01650 -1.0 2.0
   38    40    43    48   0.39100  1.0 3.0
   38    40    43    59   1.10250  1.0 1.0
   38    40    43    59   0.01650 -1.0 2.0
   38    40    43    59   0.39100  1.0 3.0
   38    40   -44    50   0.06250  1.0 1.0
   38    40   -44    50  -0.01100 -1.0 2.0
   38    40   -44    50   0.28050  1.0 3.0
   38    42    45    46   0.05050  1.0 1.0
   38    42    45    46  -1.30700 -1.0 2.0
   38    42    45    46   0.91550  1.0 3.0
   38    42    45    47   0.05050  1.0 1.0
   38    42    45    47  -1.30700 -1.0 2.0
   38    42    45    47   0.91550  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    42    45   0.03000  1.0 3.0
   40    38    42    45  -2.65550  1.0 1.0
   40    38    42    45  -0.22350 -1.0 2.0
   40    38    42    45   0.24150  1.0 3.0
   40    43    48    49   3.62500 -1.0 2.0
   40    43    48    52   3.62500 -1.0 2.0
   40    43    59    56   0.81400  1.0 1.0
   40    43    59    56   1.55550 -1.0 2.0
   40    43    59    60   3.62500 -1.0 2.0
   40    44   -50    33   0.06250  1.0 1.0
   40    44   -50    33  -0.01100 -1.0 2.0
   40    44   -50    33   0.28050  1.0 3.0
   40    44    50    51   0.37050  1.0 3.0
   40    44    50    53   0.06250  1.0 1.0
   40    44    50    53  -0.01100 -1.0 2.0
   40    44    50    53   0.28050  1.0 3.0
   41    40    43    48   0.00000  1.0 1.0
   41    40    43    59   0.00000  1.0 1.0
   41    40    44    50   0.37050  1.0 3.0
   43    40    44    50  -2.37750  1.0 1.0
   43    40    44    50  -0.08150 -1.0 2.0
   43    40    44    50   0.59000  1.0 3.0
   43    48   -52    56   3.62500 -1.0 2.0
   43    59    60    61   1.25000 -1.0 2.0
   48    43   -59    56   0.70250  1.0 1.0
   48    43   -59    56   1.56150 -1.0 2.0
   48    43    59    60   3.62500 -1.0 2.0
   48    52   -56    59   3.62500 -1.0 2.0
   48    52    56    67   3.62500 -1.0 2.0
   49    48    52    56   3.62500 -1.0 2.0
   52    56   -59    43   3.62500 -1.0 2.0
   52    56    59    60   3.62500 -1.0 2.0
   52    56    67    62   5.37500 -1.0 2.0
   52    56    67    68   0.41000 -1.0 2.0
   56    59    60    61   3.62500 -1.0 2.0
   59    43    48    49   3.62500 -1.0 2.0
   59    43   -48    52   3.62500 -1.0 2.0
   59    56    67    62   1.50000 -1.0 2.0
   59    56    67    68   1.05000 -1.0 2.0
   59    60   -61    62   3.62500 -1.0 2.0
   59    60    61    64   3.62500 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61    62    67   3.62500 -1.0 2.0
   60    61    64    65   0.70000 -1.0 2.0
   60    61    64    66   0.70000 -1.0 2.0
   61    62   -67    56   1.52500 -1.0 2.0
   61    62    67    68   3.04450 -1.0 2.0
   62    61    64    65   1.01500 -1.0 2.0
   62    61    64    66   1.01500 -1.0 2.0
   63    62    67    56   1.52500 -1.0 2.0
   63    62    67    68   2.45000 -1.0 2.0
   67    56    59    43   3.62500 -1.0 2.0
   67    56   -59    60   3.62500 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    67   3.62500 -1.0 2.0
   44    40    43    48   0.10350  1.0 1.0
   44    40    43    48  -0.15350 -1.0 2.0
   44    40    43    59   0.10350  1.0 1.0
   44    40    43    59  -0.15350 -1.0 2.0
   44    50    53    54   0.23400  1.0 3.0
   44    50    53    55   0.23400  1.0 3.0
   44    50    53    57   3.69350  1.0 1.0
   44    50    53    57  -1.82950 -1.0 2.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   3.97050  1.0 1.0
   50    33    38    42   0.62750  1.0 1.0
   50    33    38    42  -0.30950 -1.0 2.0
   50    33    38    42   0.27300  1.0 3.0
   50    53    57    58  -0.11600  1.0 1.0
   50    53    57    58  -0.09450 -1.0 2.0
   50    53    57    58   0.21250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.23400  1.0 3.0
   54    53    57    58   0.19450  1.0 3.0
   55    53    57    58   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43  -0.86350  1.0 1.0
   42    38    40    43   0.04750 -1.0 2.0
   42    38    40    44   1.11900  1.0 1.0
   42    38    40    44  -1.16350 -1.0 2.0
   42    38    40    44  -0.34150  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   48    59    43    40   4.00000 -1.0 2.0
   52    49    48    43   1.10000 -1.0 2.0
   59    67    56    52   4.00000 -1.0 2.0
   56    60    59    43   4.00000 -1.0 2.0
   62    64    61    60  10.50000 -1.0 2.0
   63    61    62    67   1.00000 -1.0 2.0
   56    62    67    68  10.50000 -1.0 2.0
   66    61    64    65   1.00000 -1.0 2.0
END
