* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    122    182     363
    1     0 S   NP   _N1_     1    29.02623    92.73065   -23.17841
    2     1 S   H    _HN1     2     1.03007    93.60991    28.45592
    3     1 S   H    _H1_     3     1.02830    17.91121   168.09636
    4     1 S   H    _H2_     4     1.02762   102.22677   -81.09915
    5     1 S   CT   _CA1     5     1.50174   127.77820   147.79595
    6     5 S   HC   _HA1     6     1.09570   105.31784    66.79797
    7     5 S   CO3  _C1_     7     1.53765   112.39592   -53.46438
    8     7 S   O2Z  _O11     8     1.26343   115.03134   -43.85076
    9     7 S   O2Z  _O12     9     1.26245   114.89193   135.36886
   10     5 S   CT   _CB1    10     1.53006   107.21097  -175.34091
   11    10 S   HC   HB11    11     1.09818   109.24873   -52.34790
   12    10 S   HC   HB12    12     1.09650   110.01585    63.95860
   13    10 S   CT   _CG1    13     1.52981   113.13199  -173.97937
   14    13 S   HC   HG11    14     1.09593   110.35422   -64.24789
   15    13 S   HC   HG12    15     1.09637   110.09909    55.02364
   16    13 S   C    _CD1    16     1.51865   112.18580   175.16645
   17    16 S   O    _OE1    17     1.22743   123.18904    -7.35701
   18    16 S   N    _N2_    18     1.38625   111.80392   173.40123
   19    18 S   H    _HN2    19     1.01592   119.06806     0.33396
   20    18 S   CT1  _CA2    20     1.46152   123.30361   178.99731
   21    20 S   HC   _HA2    21     1.09574   109.17023    -9.14417
   22    20 S   C    _C2_    22     1.53471   108.62769  -124.15109
   23    22 S   O    _O2_    23     1.23025   122.13889  -147.61763
   24    20 S   CT   _CB2    32     1.53407   111.79130   113.35285
   25    24 S   HC   HB21    33     1.09650   109.59346    58.97559
   26    24 S   HC   HB22    34     1.09558   111.12689   176.49033
   27    22 S   N    _N3_    24     1.38478   113.45133    40.01472
   28    27 S   H    _HN3    25     1.01508   118.92396    -0.97116
   29    24 S   S    _SG2    35     1.82803   114.27735   -60.78908
   30    27 S   CT   _CA3    26     1.45454   123.52286   174.39723
   31    30 S   HC   HA31    27     1.09519   109.27458    23.44806
   32    30 S   HC   HA32    28     1.09493   107.10843   140.53524
   33    29 S   CT   _C12    36     1.82904    99.74071   -72.68391
   34    33 S   HC   _H14    37     1.09522   108.40211   -59.03233
   35    33 S   HC   _H15    38     1.09188   107.96633    57.42193
   36    30 S   CO3  _C3_    29     1.52959   113.13030   -99.99839
   37    36 S   O2Z  _O31    30     1.26410   115.47089   -41.16268
   38    36 S   O2Z  _O32    31     1.26363   114.92429   139.72696
   39    33 S   CT   _C10    39     1.54011   113.46375   179.15073
   40    39 S   HC   _H8_    40     1.09780   108.88496  -177.36760
   41    39 S   CT   _C11    41     1.53230   112.26928    63.10396
   42    41 S   HC   _H11    42     1.09447   111.71804   -75.99402
   43    41 S   HC   _H12    43     1.09437   111.16394    46.94710
   44    39 S   OS1  _O34    46     1.43503   111.46916   -57.49305
   45    41 S   OH   _O35    44     1.42599   109.00537   165.51848
   46    45 S   HO   _H13    45     0.97219   107.02471   177.27681
   47    44 S   CO1  _C9_    47     1.43011   114.52068   -78.23908
   48    47 S   HC   _H7_    48     1.09500   109.31739    48.58780
   49    47 S   CT   _C8_    49     1.53350   108.15804   167.06585
   50    49 S   HC   _H6_    50     1.09452   110.58860   -57.77245
   51    49 S   CT   _C7_    51     1.53135   109.31762   179.57433
   52    51 S   HC   _H5_    52     1.09706   108.44650    66.71514
   53    49 S   OH5  _O36    67     1.43066   109.42752    58.56742
   54    53 S   HO   _H16    68     0.97308   106.92798   165.90849
   55    51 S   CT   _C6_    53     1.53632   111.76773   -52.80209
   56    55 S   HC   _H4_    54     1.09623   109.42583   172.90361
   57    51 S   OH5  _O37    65     1.42582   109.62065  -176.90256
   58    57 S   HO   _H17    66     0.97233   107.58987   168.17128
   59    55 S   CT   _C5_    55     1.53995   109.68736    51.37099
   60    59 S   HC   _H3_    56     1.09819   109.81204    64.23966
   61    55 S   OH5  _O38    63     1.42755   109.30678   -70.66353
   62    61 S   HO   _H18    64     0.97159   108.21705  -170.46741
   63    47 S   OS1  _O33    57     1.43236   111.80830   -71.80790
   64    59 S   CT   _C4_    58     1.52816   112.68284  -174.31225
   65    64 S   HC   _H9_    59     1.09477   111.42945    74.18251
   66    64 S   HC   _H10    60     1.09428   111.06452   -48.49535
   67    64 S   OH5  _O39    61     1.42518   109.00988  -167.19275
   68    67 S   HO   _H19    62     0.97237   107.04944  -177.39090
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  10   5   4   2   1   1  11   6   6   4   3   9   1   1  13   6
  12   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    44  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    44    47  
   35    39    40    41    44  
   39    40    41    44  
   37    38  
   38  
    0  
   40    41    42    43    45    46    44    47    48    49    63  
   41    42    43    45    44    47  
   42    43    45    46    44    47  
   43    45    46    44  
   45    46    44  
   47    48    49    50    51    59    63    53    45  
   46  
    0  
   48    49    50    51    52    55    59    60    63    64    57    53    54  
   49    50    51    59    63    53  
   50    51    52    55    56    59    63    61    57    58    53    54  
   51    52    55    63    57    53    54  
   52    55    56    59    60    63    64    61    62    57    58    53    54  
   55    56    59    61    57    58    53  
   54    55    57    63  
    0  
   56    59    60    63    64    65    66    67    61    62    57    58  
   59    60    63    64    61    62    57  
   58    59    61  
    0  
   60    63    64    65    66    67    68    61    62  
   63    64    65    66    67    61  
   62    63    64  
    0  
   64    65    66    67  
   65    66    67    68  
   66    67    68  
   67    68  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    44   335.000  1.422
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    45   320.000  1.410
   45    46   553.000  0.945
   44    47   370.000  1.399
   47    48   360.000  1.097
   47    49   255.000  1.525
   47    63   370.000  1.399
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   355.000  1.421
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    57   355.000  1.421
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    61   355.000  1.421
   59    60   340.000  1.090
   59    63   335.000  1.422
   59    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   355.000  1.421
   67    68   580.000  0.967
   61    62   580.000  0.967
   57    58   580.000  0.967
   53    54   580.000  0.967
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    44    95.00000  107.88500
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    37.50000  110.70000
   39    41    45    50.00000  109.50000
   39    44    47    90.00000  112.10700
   41    39    40    37.50000  110.70000
   41    45    46    55.00000  108.50000
   43    41    42    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    35.00000  109.50000
   44    39    40    55.00000  108.98800
   44    39    41    95.00000  107.88500
   44    47    48    60.00000  105.75400
   44    47    49    90.00000  109.70700
   44    47    63   110.00000  113.16000
   47    49    50    45.00000  109.54000
   47    49    51    70.00000  111.10000
   47    49    53    90.00000  109.42000
   47    63    59    90.00000  112.10700
   49    47    48    45.00000  111.65000
   49    51    52    37.50000  110.70000
   49    51    55    58.35000  112.70000
   49    51    57    90.00000  111.45300
   49    53    54    65.00000  108.53500
   51    49    50    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    59    58.35000  112.70000
   51    55    61    90.00000  111.45300
   51    57    58    65.00000  108.53500
   55    51    52    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    95.00000  107.88500
   55    59    64    58.35000  112.70000
   55    61    62    65.00000  108.53500
   59    55    56    37.50000  110.70000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   59    64    67    90.00000  111.45300
   63    47    48    60.00000  105.75400
   63    47    49    90.00000  109.70700
   63    59    60    55.00000  108.98800
   64    59    60    37.50000  110.70000
   64    59    63    95.00000  107.88500
   64    67    68    65.00000  108.53500
   66    64    65    33.00000  107.80000
   67    64    65    60.00000  109.39000
   67    64    66    60.00000  109.39000
   61    55    56    60.00000  109.39000
   61    55    59    90.00000  111.45300
   57    51    52    60.00000  109.39000
   57    51    55    90.00000  111.45300
   53    49    50    60.00000  109.39000
   53    49    51    90.00000  111.45300
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.15000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    44    47   0.06250  1.0 1.0
   33    39    44    47  -0.01100 -1.0 2.0
   33    39    44    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    44   0.23400  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   39    44    47    48   0.37050  1.0 3.0
   39    44    47    49   0.06250  1.0 1.0
   39    44    47    49  -0.01100 -1.0 2.0
   39    44    47    49   0.28050  1.0 3.0
   39    44    47    63  -0.12700  1.0 1.0
   39    44    47    63  -1.16200 -1.0 2.0
   39    44    47    63   0.58800  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    44    47   0.37050  1.0 3.0
   41    39    44    47   0.06250  1.0 1.0
   41    39    44    47  -0.01100 -1.0 2.0
   41    39    44    47   0.28050  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46   0.19450  1.0 3.0
   44    39    41    42   0.23400  1.0 3.0
   44    39    41    43   0.23400  1.0 3.0
   44    39    41    45   3.69350  1.0 1.0
   44    39    41    45  -1.82950 -1.0 2.0
   44    47    49    50   0.23400  1.0 3.0
   44    47    49    51   0.62750  1.0 1.0
   44    47    49    51  -0.30950 -1.0 2.0
   44    47    49    51   0.27300  1.0 3.0
   44    47    49    53   1.51850  1.0 1.0
   44    47    63    59  -0.70400  1.0 1.0
   44    47    63    59  -0.90350 -1.0 2.0
   47    49    51    52   0.15000  1.0 3.0
   47    49    51    55   0.56750  1.0 1.0
   47    49    51    55  -0.07550 -1.0 2.0
   47    49    51    55   0.20000  1.0 3.0
   47    49    51    57  -0.47750  1.0 1.0
   47    49    53    54   0.29150  1.0 1.0
   47    49    53    54  -0.28350 -1.0 2.0
   47    49    53    54   0.43600  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    53   0.23400  1.0 3.0
   48    47    63    59   0.37050  1.0 3.0
   49    47    63    59   0.06250  1.0 1.0
   49    47    63    59  -0.01100 -1.0 2.0
   49    47    63    59   0.28050  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51   -55    59   0.56750  1.0 1.0
   49    51   -55    59  -0.07550 -1.0 2.0
   49    51   -55    59   0.20000  1.0 3.0
   49    51    55    61  -0.47750  1.0 1.0
   49    51    57    58   0.29150  1.0 1.0
   49    51    57    58  -0.28350 -1.0 2.0
   49    51    57    58   0.43600  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.23400  1.0 3.0
   50    49    53    54   0.19450  1.0 3.0
   51    49    53    54   0.29150  1.0 1.0
   51    49    53    54  -0.28350 -1.0 2.0
   51    49    53    54   0.43600  1.0 3.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    63   0.62750  1.0 1.0
   51    55    59    63  -0.30950 -1.0 2.0
   51    55    59    63   0.27300  1.0 3.0
   51    55    59    64   0.56750  1.0 1.0
   51    55    59    64  -0.07550 -1.0 2.0
   51    55    59    64   0.20000  1.0 3.0
   51    55    61    62   0.29150  1.0 1.0
   51    55    61    62  -0.28350 -1.0 2.0
   51    55    61    62   0.43600  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.23400  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   55    51    57    58   0.29150  1.0 1.0
   55    51    57    58  -0.28350 -1.0 2.0
   55    51    57    58   0.43600  1.0 3.0
   55    59   -63    47   0.06250  1.0 1.0
   55    59   -63    47  -0.01100 -1.0 2.0
   55    59   -63    47   0.28050  1.0 3.0
   55    59    64    65   0.15000  1.0 3.0
   55    59    64    66   0.15000  1.0 3.0
   55    59    64    67  -0.47750  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.23400  1.0 3.0
   56    55    59    64   0.15000  1.0 3.0
   56    55    61    62   0.19450  1.0 3.0
   59    55    61    62   0.29150  1.0 1.0
   59    55    61    62  -0.28350 -1.0 2.0
   59    55    61    62   0.43600  1.0 3.0
   59    64    67    68   0.29150  1.0 1.0
   59    64    67    68  -0.28350 -1.0 2.0
   59    64    67    68   0.43600  1.0 3.0
   60    59    63    47   0.37050  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   60    59    64    67   0.23400  1.0 3.0
   63    47    49    50   0.23400  1.0 3.0
   63    47   -49    51   0.62750  1.0 1.0
   63    47   -49    51  -0.30950 -1.0 2.0
   63    47   -49    51   0.27300  1.0 3.0
   63    47    49    53   1.51850  1.0 1.0
   63    59    64    65   0.23400  1.0 3.0
   63    59    64    66   0.23400  1.0 3.0
   63    59    64    67   1.51850  1.0 1.0
   64    59    63    47   0.06250  1.0 1.0
   64    59    63    47  -0.01100 -1.0 2.0
   64    59    63    47   0.28050  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   66    64    67    68   0.19450  1.0 3.0
   61    55    59    60   0.23400  1.0 3.0
   61    55    59    63   1.51850  1.0 1.0
   61    55    59    64  -0.47750  1.0 1.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    59  -0.47750  1.0 1.0
   57    51    55    61   3.77950  1.0 1.0
   53    49    51    52   0.23400  1.0 3.0
   53    49    51    55  -0.47750  1.0 1.0
   53    49    51    57   3.77950  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
END
