* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    125    191     362
    1     0 S   NP   _N1_     1    28.74430    95.31668   -24.36080
    2     1 S   H    _HN1     2     1.02950    76.21752    17.93854
    3     1 S   H    _H1_     3     1.02826    32.59070   178.90657
    4     1 S   H    _H2_     4     1.02779   108.81068   -87.07911
    5     1 S   CT   _CA1     5     1.50119   133.04855   123.11711
    6     5 S   HC   _HA1     6     1.09574   105.19561    87.68876
    7     5 S   CO3  _C1_     7     1.53792   112.37819   -32.50821
    8     7 S   O2Z  _O11     8     1.26373   114.99008   -43.63778
    9     7 S   O2Z  _O12     9     1.26234   114.94012   135.37087
   10     5 S   CT   _CB1    10     1.53075   107.40470  -154.37588
   11    10 S   HC   HB11    11     1.09830   109.37274   -49.90960
   12    10 S   HC   HB12    12     1.09812   110.45553    66.70090
   13    10 S   CT   _CG1    13     1.52968   112.59321  -170.90549
   14    13 S   HC   HG11    14     1.09591   110.55808   -65.25099
   15    13 S   HC   HG12    15     1.09666   109.85152    53.96353
   16    13 S   C    _CD1    16     1.51807   112.26053   174.40220
   17    16 S   O    _OE1    17     1.22723   123.34689     4.98610
   18    16 S   N    _N2_    18     1.38590   111.61805  -175.22349
   19    18 S   H    _HN2    19     1.01638   118.86803     1.25803
   20    18 S   CT1  _CA2    20     1.46223   123.53989   178.87430
   21    20 S   HC   _HA2    21     1.09725   109.45600    -0.25179
   22    20 S   C    _C2_    22     1.53434   108.59831  -115.91216
   23    22 S   O    _O2_    23     1.23048   122.27775  -147.61601
   24    20 S   CT   _CB2    32     1.53229   111.14467   121.76312
   25    24 S   HC   HB21    33     1.09617   109.76771    56.42000
   26    24 S   HC   HB22    34     1.09505   110.81981   174.82699
   27    22 S   N    _N3_    24     1.38336   113.63994    39.87566
   28    27 S   H    _HN3    25     1.01607   119.56182    -3.67663
   29    24 S   S    _SG2    35     1.83053   111.24213   -65.52247
   30    27 S   CT   _CA3    26     1.45288   123.14952   176.98871
   31    30 S   HC   HA31    27     1.09552   107.53767   -63.49837
   32    30 S   HC   HA32    28     1.09558   107.93594    52.91218
   33    29 S   CA   _C14    36     1.79472    99.12195   153.43733
   34    30 S   CO3  _C3_    29     1.52945   114.12815   174.87363
   35    34 S   O2Z  _O31    30     1.26371   116.06966    -1.06569
   36    34 S   O2Z  _O32    31     1.26434   114.40947   178.98683
   37    33 S   CA   _C13    37     1.40264   121.78394    90.20105
   38    37 S   CA   _C12    38     1.39653   122.85128   178.90998
   39    38 S   HA   _H8_    39     1.08767   120.85842  -178.99927
   40    37 S   NO2  _N9_    71     1.44385   120.91551    -0.31466
   41    40 S   ON   _O40    72     1.23719   116.79718   -94.12069
   42    40 S   ON   _O39    73     1.23717   116.90903    86.87836
   43    38 S   CA   _C11    40     1.39785   118.68558     0.15826
   44    43 S   CA   _C16    41     1.40675   121.99131     0.54858
   45    43 S   NIX  _N7_    50     1.44837   117.37857  -178.08133
   46    45 S   ONX  _O41    51     1.27730   118.42525   106.84566
   47    33 S   CA   _C15    42     1.41289   121.99208   -91.05020
   48    44 S   CT   _C17    46     1.50676   121.11223  -178.82380
   49    48 S   HC   _H9_    47     1.09436   109.88853    93.03126
   50    48 S   HC   _H10    48     1.09427   111.68399  -145.76950
   51    48 S   HC   _H11    49     1.09440   111.85301   -27.79635
   52    45 S   NN   _N6_    52     1.27549   114.75322   -72.82612
   53    47 S   NO2  _N8_    43     1.44977   118.70563    -0.52377
   54    53 S   ON   _O38    44     1.23792   116.89355    87.36309
   55    53 S   ON   _O37    45     1.23718   116.83267   -93.08902
   56    52 S   CA   _C6_    53     1.40995   117.44144  -179.81025
   57    56 S   CA   _C7_    54     1.40658   118.49476    88.21761
   58    57 S   HA   _H6_    55     1.08823   118.74436    -0.08623
   59    57 S   CA   _C8_    56     1.39846   120.18031  -180.00000
   60    59 S   CA   _C9_    57     1.39318   121.00503     0.00000
   61    60 S   HA   _H7_    58     1.08712   121.52936   178.68285
   62    59 S   NO2  _N5_    68     1.45870   119.46577   179.58599
   63    62 S   ON   _O36    69     1.23845   117.67716   -21.14133
   64    62 S   ON   _O35    70     1.23846   117.63533   158.83855
   65    60 S   CA   _C10    59     1.39829   118.04951    -0.54608
   66    56 S   CA   _C5_    60     1.41200   121.26906   -93.59417
   67    65 S   NO2  _N4_    65     1.44706   116.65638   178.71549
   68    67 S   ON   _O34    66     1.23749   116.92974    65.76536
   69    67 S   ON   _O33    67     1.23747   117.07809  -113.63541
   70    66 S   CT   _C4_    61     1.50624   120.31915     1.07447
   71    70 S   HC   _H3_    62     1.09432   109.96783    91.55924
   72    70 S   HC   _H4_    63     1.09466   111.47668  -147.17280
   73    70 S   HC   _H5_    64     1.09467   111.62819   -29.14295
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  13   2   1   1  10  11   4   4   1   1  11  11   7   2   7   4
   2   1   1   7   2   1   1  12  10   4   8  10   4   3   1   1
   8   7   3   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    47    53    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    47    53    54    55    48    40    41    42  
   35    36  
   36  
    0  
   38    39    43    44    47    53    45    40    41    42  
   39    43    44    47    48    45    46    52    40    41    42  
   43    44    45    40  
   41    42    43    47  
   42  
    0  
   44    47    53    48    49    50    51    45    46    52    56  
   47    53    54    55    48    49    50    51    45    46    52  
   46    52    56    57    66    47    48  
   52    56  
   53    54    55    48    49    50    51  
   49    50    51    53  
   50    51  
   51  
    0  
   56    57    58    59    65    66    70  
   54    55  
   55  
    0  
   57    58    59    60    65    66    70    71    72    73    67    62  
   58    59    60    61    65    66    70    62    63    64  
   59    60    66    62  
   60    61    65    66    67    62    63    64  
   61    65    66    70    67    68    69    62    63    64  
   65    66    67    62  
   63    64    65  
   64  
    0  
   66    70    71    72    73    67    68    69  
   70    71    72    73    67    68    69  
   68    69    70  
   69  
    0  
   71    72    73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.320000   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   3.5500   0.0700   0.152500   2.5000   1.7750   0.001000000  -0.843144165
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   39   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   40   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   41   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   42   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   43   3.5500   0.0700   0.122500   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.2500   0.1200   0.977500   1.9050   1.6860   0.051222218  -2.220205820
   46   2.9600   0.1700  -1.100000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.030800   1.8375   1.6250   0.005000000   0.000000000
   53   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   54   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   55   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   56   3.5500   0.0700   0.030800   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   63   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   64   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   65   3.5500   0.0700   0.090000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700   0.650000   1.8650   1.6500   0.020864068  -0.347800883
   68   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   69   2.9600   0.1700  -0.370000   1.8650   1.6500   0.020881802  -0.347800883
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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   250.000  1.760
   33    37   469.000  1.400
   33    47   469.000  1.400
   37    38   469.000  1.400
   37    40   400.000  1.460
   38    39   367.000  1.080
   38    43   469.000  1.400
   43    44   469.000  1.400
   43    45   315.000  1.443
   44    47   469.000  1.400
   44    48   317.000  1.510
   47    53   400.000  1.460
   53    54   550.000  1.225
   53    55   550.000  1.225
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   45    46   635.000  1.253
   45    52   470.000  1.272
   52    56   370.000  1.400
   56    57   469.000  1.400
   56    66   469.000  1.400
   57    58   367.000  1.080
   57    59   469.000  1.400
   59    60   469.000  1.400
   59    62   400.000  1.460
   60    61   367.000  1.080
   60    65   469.000  1.400
   65    66   469.000  1.400
   65    67   400.000  1.460
   66    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   67    68   550.000  1.225
   67    69   550.000  1.225
   62    63   550.000  1.225
   62    64   550.000  1.225
   40    41   550.000  1.225
   40    42   550.000  1.225
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  104.20000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    85.00000  119.40000
   29    33    47    85.00000  119.40000
   33    37    38    63.00000  120.00000
   33    37    40    85.00000  120.00000
   33    47    44    63.00000  120.00000
   33    47    53    85.00000  120.00000
   37    38    39    35.00000  120.00000
   37    38    43    63.00000  120.00000
   37    40    41    80.00000  117.50000
   37    40    42    80.00000  117.50000
   38    43    44    63.00000  120.00000
   38    43    45    70.00000  116.91600
   43    38    39    35.00000  120.00000
   43    44    47    63.00000  120.00000
   43    44    48    70.00000  120.00000
   43    45    46    90.00000  120.88000
   43    45    52    85.00000  116.84000
   44    47    53    85.00000  120.00000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   47    33    37    63.00000  120.00000
   47    53    54    80.00000  117.50000
   47    53    55    80.00000  117.50000
   55    53    54    80.00000  125.30000
   48    44    47    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   45    43    44    70.00000  116.91600
   45    52    56    80.00000  114.00000
   52    45    46   100.00000  126.35300
   52    56    57    70.00000  119.16000
   52    56    66    70.00000  119.16000
   56    57    58    35.00000  120.00000
   56    57    59    63.00000  120.00000
   56    66    65    63.00000  120.00000
   56    66    70    70.00000  120.00000
   57    59    60    63.00000  120.00000
   57    59    62    85.00000  120.00000
   59    57    58    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    65    63.00000  120.00000
   59    62    63    80.00000  117.50000
   59    62    64    80.00000  117.50000
   60    65    66    63.00000  120.00000
   60    65    67    85.00000  120.00000
   65    60    61    35.00000  120.00000
   65    66    70    70.00000  120.00000
   65    67    68    80.00000  117.50000
   65    67    69    80.00000  117.50000
   66    56    57    63.00000  120.00000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   67    65    66    85.00000  120.00000
   69    67    68    80.00000  125.30000
   62    59    60    85.00000  120.00000
   64    62    63    80.00000  125.30000
   40    37    38    85.00000  120.00000
   42    40    41    80.00000  125.30000
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  -0.35400  1.0 1.0
   20    24    29    33  -0.24450 -1.0 2.0
   20    24    29    33   0.44000  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   0.63250 -1.0 2.0
   24    29    33    47   0.63250 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   3.62500 -1.0 2.0
   29    33    37    40   3.62500 -1.0 2.0
   29    33    47    44   3.62500 -1.0 2.0
   29    33    47    53   3.62500 -1.0 2.0
   33    37    38    39   3.62500 -1.0 2.0
   33    37    38    43   3.62500 -1.0 2.0
   33    37    40    41   0.69950 -1.0 2.0
   33    37    40    42   0.69950 -1.0 2.0
   33    47    53    54   0.69950 -1.0 2.0
   33    47    53    55   0.69950 -1.0 2.0
   37    33    47    44   3.62500 -1.0 2.0
   37    33    47    53   3.62500 -1.0 2.0
   37    38   -43    44   3.62500 -1.0 2.0
   37    38    43    45   3.62500 -1.0 2.0
   38    37    40    41   0.69950 -1.0 2.0
   38    37    40    42   0.69950 -1.0 2.0
   38    43    44    47   3.62500 -1.0 2.0
   38    43    44    48   3.62500 -1.0 2.0
   38    43    45    46   0.25000 -1.0 2.0
   38    43    45    52   0.25000 -1.0 2.0
   39    38    43    44   3.62500 -1.0 2.0
   39    38    43    45   3.62500 -1.0 2.0
   43    44   -47    33   3.62500 -1.0 2.0
   43    44    47    53   3.62500 -1.0 2.0
   43    44    48    49   0.00000  1.0 1.0
   43    44    48    50   0.00000  1.0 1.0
   43    44    48    51   0.00000  1.0 1.0
   43    45    52    56   2.00000 -1.0 2.0
   44    43    45    46   0.25000 -1.0 2.0
   44    43    45    52   0.25000 -1.0 2.0
   44    47    53    54   0.69950 -1.0 2.0
   44    47    53    55   0.69950 -1.0 2.0
   47    33   -37    38   3.62500 -1.0 2.0
   47    33    37    40   3.62500 -1.0 2.0
   47    44    48    49   0.00000  1.0 1.0
   47    44    48    50   0.00000  1.0 1.0
   47    44    48    51   0.00000  1.0 1.0
   48    44    47    33   3.62500 -1.0 2.0
   48    44    47    53   3.62500 -1.0 2.0
   45    43    44    47   3.62500 -1.0 2.0
   45    43    44    48   3.62500 -1.0 2.0
   45    52    56    57   1.25000 -1.0 2.0
   45    52    56    66   1.25000 -1.0 2.0
   46    45    52    56   2.00000 -1.0 2.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56    57    59   3.62500 -1.0 2.0
   52    56    66    65   3.62500 -1.0 2.0
   52    56    66    70   3.62500 -1.0 2.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    62   3.62500 -1.0 2.0
   56    66    70    71   0.00000  1.0 1.0
   56    66    70    72   0.00000  1.0 1.0
   56    66    70    73   0.00000  1.0 1.0
   57    56    66    65   3.62500 -1.0 2.0
   57    56    66    70   3.62500 -1.0 2.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59   -60    65   3.62500 -1.0 2.0
   57    59    62    63   0.69950 -1.0 2.0
   57    59    62    64   0.69950 -1.0 2.0
   58    57    59    60   3.62500 -1.0 2.0
   58    57    59    62   3.62500 -1.0 2.0
   59    60    65    66   3.62500 -1.0 2.0
   59    60    65    67   3.62500 -1.0 2.0
   60    59    62    63   0.69950 -1.0 2.0
   60    59    62    64   0.69950 -1.0 2.0
   60    65   -66    56   3.62500 -1.0 2.0
   60    65    66    70   3.62500 -1.0 2.0
   60    65    67    68   0.69950 -1.0 2.0
   60    65    67    69   0.69950 -1.0 2.0
   61    60    65    66   3.62500 -1.0 2.0
   61    60    65    67   3.62500 -1.0 2.0
   65    66    70    71   0.00000  1.0 1.0
   65    66    70    72   0.00000  1.0 1.0
   65    66    70    73   0.00000  1.0 1.0
   66    56    57    58   3.62500 -1.0 2.0
   66    56   -57    59   3.62500 -1.0 2.0
   66    65    67    68   0.69950 -1.0 2.0
   66    65    67    69   0.69950 -1.0 2.0
   67    65    66    56   3.62500 -1.0 2.0
   67    65    66    70   3.62500 -1.0 2.0
   62    59    60    61   3.62500 -1.0 2.0
   62    59    60    65   3.62500 -1.0 2.0
   40    37    38    39   3.62500 -1.0 2.0
   40    37    38    43   3.62500 -1.0 2.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    47    33    29   4.00000 -1.0 2.0
   38    40    37    33   4.00000 -1.0 2.0
   43    39    38    37   1.10000 -1.0 2.0
   44    45    43    38   4.00000 -1.0 2.0
   47    48    44    43   4.00000 -1.0 2.0
   44    53    47    33   4.00000 -1.0 2.0
   54    47    53    55  10.50000 -1.0 2.0
   57    66    56    52   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   60    62    59    57   4.00000 -1.0 2.0
   65    61    60    59   1.10000 -1.0 2.0
   66    67    65    60   4.00000 -1.0 2.0
   65    70    66    56   4.00000 -1.0 2.0
   68    65    67    69  10.50000 -1.0 2.0
   63    59    62    64  10.50000 -1.0 2.0
   41    37    40    42  10.50000 -1.0 2.0
END
