* LIGAND DATABASE FILE (OPLS2005)
*
001      74    74    136    196     395
    1     0 S   NP   _N1_     1    28.85499    98.78472   -22.10774
    2     1 S   H    _HN1     2     1.02794    98.69915   -90.73485
    3     1 S   H    _H1_     3     1.02948    57.62412    15.54325
    4     1 S   H    _H2_     4     1.02828    55.99835   163.51873
    5     1 S   CT   _CA1     5     1.50128   149.14821    90.73843
    6     5 S   HC   _HA1     6     1.09574   105.16931   117.13116
    7     5 S   CO3  _C1_     7     1.53770   112.39752    -3.07574
    8     7 S   O2Z  _O11     8     1.26375   115.00656   -43.89827
    9     7 S   O2Z  _O12     9     1.26231   114.93954   135.06742
   10     5 S   CT   _CB1    10     1.53057   107.39964  -124.92899
   11    10 S   HC   HB11    11     1.09841   109.33793   -49.51912
   12    10 S   HC   HB12    12     1.09810   110.48174    67.07282
   13    10 S   CT   _CG1    13     1.53017   112.63070  -170.45400
   14    13 S   HC   HG11    14     1.09574   110.71103   -66.80624
   15    13 S   HC   HG12    15     1.09669   109.72362    52.44420
   16    13 S   C    _CD1    16     1.51815   112.00786   172.91003
   17    16 S   O    _OE1    17     1.22759   123.17957    11.09741
   18    16 S   N    _N2_    18     1.38618   111.81808  -168.91093
   19    18 S   H    _HN2    19     1.01584   119.06665     0.90569
   20    18 S   CT1  _CA2    20     1.46250   123.43368   177.11500
   21    20 S   HC   _HA2    21     1.09738   109.25450     7.73431
   22    20 S   C    _C2_    22     1.53672   108.96472  -107.84522
   23    22 S   O    _O2_    23     1.23083   122.26754  -149.41005
   24    20 S   CT   _CB2    32     1.53283   111.52572   129.66551
   25    24 S   HC   HB21    33     1.09459   109.89313    57.37257
   26    24 S   HC   HB22    34     1.09507   110.11646   176.26545
   27    22 S   N    _N3_    24     1.38331   113.89729    38.13454
   28    27 S   H    _HN3    25     1.01537   119.61018    -3.25666
   29    24 S   S    _SG2    35     1.82750   111.45067   -64.05163
   30    27 S   CT   _CA3    26     1.45268   123.23759   177.18861
   31    30 S   HC   HA31    27     1.09548   107.51756   -64.77320
   32    30 S   HC   HA32    28     1.09557   107.98828    51.67401
   33    29 S   CT   _C10    36     1.87100    99.63946   178.27614
   34    33 S   HC   _H3_    37     1.09102   103.84204    18.91638
   35    30 S   CO3  _C3_    29     1.52961   114.07164   173.69612
   36    35 S   O2Z  _O31    30     1.26380   116.10309     0.25488
   37    35 S   O2Z  _O32    31     1.26429   114.40818  -179.69868
   38    33 S   CT   _C11    38     1.55209   106.12024   133.77519
   39    38 S   HC   _H12    39     1.09058   111.25035   164.10035
   40    38 S   HC   _H13    40     1.09341   108.86396    50.70435
   41    33 S   CT   _C9_    56     1.57549   115.12399   -99.09197
   42    41 S   OM   _O34    57     1.32658   108.78049    70.48782
   43    38 S   CM   _C12    41     1.52121   114.36350   -76.13072
   44    41 S   CT   _C18    58     1.55127   112.06889   -47.35828
   45    44 S   HC   _H22    59     1.09702   113.41010    64.30418
   46    44 S   HC   _H23    60     1.09637   110.75998   -56.82675
   47    44 S   HC   _H24    61     1.09907   111.62030  -175.79574
   48    43 S   CO4  _C16    42     1.50761   115.27537   -47.49150
   49    48 S   O    _O33    43     1.23159   119.91117   120.33551
   50    43 S   CM   _C13    66     1.35407   126.70309   131.23839
   51    48 S   CT   _C17    44     1.52449   118.31166   -58.47373
   52    51 S   HC   _H20    45     1.09250   109.57167   -15.05055
   53    51 S   HC   _H21    46     1.09702   107.72159  -128.46638
   54    50 S   CT   _C14    67     1.50973   124.17014    -1.87398
   55    54 S   HC   _H14    68     1.09529   109.98373   114.85550
   56    54 S   HC   _H15    69     1.09577   109.80559  -126.15021
   57    54 S   HC   _H16    70     1.09003   114.57772    -6.22224
   58    50 S   CT   _C15    71     1.51319   124.22280   177.20145
   59    58 S   HC   _H17    72     1.09479   110.02491   106.83186
   60    58 S   HC   _H18    73     1.09596   110.09891  -133.95664
   61    58 S   HC   _H19    74     1.09279   113.84444   -15.10675
   62    51 S   CM   _C5_    47     1.51412   111.20434   110.69499
   63    62 S   CM   _C6_    48     1.35050   125.01462  -102.41521
   64    63 S   HC   _H7_    49     1.08911   118.45133   179.03876
   65    62 S   CT   _C4_    62     1.50809   115.44313    77.75424
   66    65 S   HC   _H4_    63     1.09383   110.83693   -65.64801
   67    65 S   HC   _H5_    64     1.09537   112.26486   174.28694
   68    65 S   HC   _H6_    65     1.09493   110.27388    54.71506
   69    63 S   CT   _C7_    50     1.49827   127.34407    -2.38360
   70    69 S   HC   _H8_    51     1.09941   106.65083  -125.42154
   71    69 S   HC   _H9_    52     1.09273   111.10697   -13.94096
   72    69 S   CT   _C8_    53     1.54630   119.12561   113.46902
   73    72 S   HC   _H10    54     1.10296   106.87738    94.57822
   74    72 S   HC   _H11    55     1.10113   105.10344  -155.91054
  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
  17   8   2   1   1  13   5   4  13   8  15   7   3   2   1  10
   5   9  10   4   3   7   3   2   1   3   2   1   1  10  11   5
   4   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    72    41    42    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    69    72    73    74    41    42    44    45    46    47    50  
   38    39    40    43    72    41    42    44  
   36    37  
   37  
    0  
   39    40    43    48    49    51    72    41    42    44    50    54    58  
   40    43    48    41    50  
   43    48    41    50  
   42    44    45    46    47    43    63    69    70    71    72    73    74  
   44    45    46    47    69    72    73    74  
   48    49    51    52    53    62    50    54    55    56    57    58    59    60    61  
   45    46    47    69    72    73    74  
   46    47    72  
   47    72  
   72  
   49    51    52    53    62    63    65    50    54    58  
   51    52    53    62    50  
   54    55    56    57    58    59    60    61    51  
   52    53    62    63    64    69    65    66    67    68  
   53    62    63    65  
   62    63    65  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    69    70    71    72    65    66    67    68  
   64    69    70    71    72    73    74    65    66    67    68  
   69    70    71    72    65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    48   320.000  1.462
   43    50   549.000  1.340
   48    49   570.000  1.229
   48    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   317.000  1.510
   62    63   549.000  1.340
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    41   268.000  1.529
   41    42   570.000  1.307
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   50    54   317.000  1.510
   50    58   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    72    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    48    65.00000  116.34900
   38    43    50    70.00000  124.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    48    49    80.00000  123.72100
   43    48    51    65.00000  118.62400
   43    50    54    70.00000  124.00000
   43    50    58    70.00000  124.00000
   48    51    52    35.00000  109.50000
   48    51    53    35.00000  109.50000
   48    51    62    70.00000  109.06800
   51    48    49    80.00000  120.40000
   51    62    63    70.00000  124.00000
   51    62    65    65.00000  117.92700
   53    51    52    33.00000  107.80000
   62    51    52    35.00000  109.50000
   62    51    53    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    69    70.00000  124.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    70.00000  112.02700
   69    63    64    35.00000  117.00000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    41    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    41    42    50.00000  109.50000
   72    41    44    58.35000  112.70000
   74    72    73    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    72    73    37.50000  110.70000
   41    72    74    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   44    41    42    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   65    62    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   50    43    48    65.00000  118.96000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   50    58    59    35.00000  109.50000
   50    58    60    35.00000  109.50000
   50    58    61    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    54    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    72   0.44750  1.0 1.0
   29    33    41    72  -0.17800 -1.0 2.0
   29    33    41    72   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   33    38    43    48   0.09700  1.0 1.0
   33    38    43    48   0.15600 -1.0 2.0
   33    38    43    48  -0.50800  1.0 3.0
   33    38    43    50   0.09850  1.0 1.0
   33    38    43    50   0.15250 -1.0 2.0
   33    38    43    50  -0.50650  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  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    43   0.15000  1.0 3.0
   34    33    41    72   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   38    33    41    72   0.56750  1.0 1.0
   38    33    41    72  -0.07550 -1.0 2.0
   38    33    41    72   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    43    48    49  -0.64400  1.0 1.0
   38    43    48    49   0.26850 -1.0 2.0
   38    43    48    51   0.25700  1.0 1.0
   38    43    48    51   0.66200 -1.0 2.0
   38    43    48    51   0.04450  1.0 3.0
   38    43    50    54   7.00000 -1.0 2.0
   38    43    50    58   7.00000 -1.0 2.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    50   0.00000  1.0 1.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    50   0.00000  1.0 1.0
   43    48    51    52   0.00000  1.0 1.0
   43    48    51    53   0.00000  1.0 1.0
   43    48    51    62   0.65300  1.0 1.0
   43    48    51    62  -0.03850 -1.0 2.0
   43    48    51    62   0.33900  1.0 3.0
   43    50    54    55   0.00000  1.0 1.0
   43    50    54    56   0.00000  1.0 1.0
   43    50    54    57   0.00000  1.0 1.0
   43    50    58    59   0.00000  1.0 1.0
   43    50    58    60   0.00000  1.0 1.0
   43    50    58    61   0.00000  1.0 1.0
   48    43    50    54   7.00000 -1.0 2.0
   48    43    50    58   7.00000 -1.0 2.0
   48    51    62    63  -0.51250  1.0 1.0
   48    51    62    63  -0.88800 -1.0 2.0
   48    51    62    63   0.08850  1.0 3.0
   48    51    62    65   0.17250  1.0 1.0
   48    51    62    65  -0.04100 -1.0 2.0
   48    51    62    65  -0.33850  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   49    48    51    62   0.30150 -1.0 2.0
   51    62    63    64   7.00000 -1.0 2.0
   51    62    63    69   7.00000 -1.0 2.0
   51    62    65    66   0.34800  1.0 3.0
   51    62    65    67   0.34800  1.0 3.0
   51    62    65    68   0.34800  1.0 3.0
   52    51    62    63   0.00000  1.0 1.0
   52    51    62    65   0.34800  1.0 3.0
   53    51    62    63   0.00000  1.0 1.0
   53    51    62    65   0.34800  1.0 3.0
   62    63    69    70   0.00000  1.0 1.0
   62    63    69    71   0.00000  1.0 1.0
   62    63    69    72   0.09850  1.0 1.0
   62    63    69    72   0.15250 -1.0 2.0
   62    63    69    72  -0.50650  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    72    73   0.15000  1.0 3.0
   63    69    72    74   0.15000  1.0 3.0
   63    69    72    41   0.34400  1.0 1.0
   63    69    72    41   0.09450 -1.0 2.0
   63    69    72    41   0.11100  1.0 3.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    71   0.33100  1.0 3.0
   64    63    69    72   0.00000  1.0 1.0
   69    72    41    33   0.56750  1.0 1.0
   69    72    41    33  -0.07550 -1.0 2.0
   69    72    41    33   0.20000  1.0 3.0
   69    72    41    42   0.62750  1.0 1.0
   69    72    41    42  -0.30950 -1.0 2.0
   69    72    41    42   0.27300  1.0 3.0
   69    72    41    44   0.56750  1.0 1.0
   69    72    41    44  -0.07550 -1.0 2.0
   69    72    41    44   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    41   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    41   0.15000  1.0 3.0
   72    41    44    45   0.15000  1.0 3.0
   72    41    44    46   0.15000  1.0 3.0
   72    41    44    47   0.15000  1.0 3.0
   73    72    41    33   0.15000  1.0 3.0
   73    72    41    42   0.23400  1.0 3.0
   73    72    41    44   0.15000  1.0 3.0
   74    72    41    33   0.15000  1.0 3.0
   74    72    41    42   0.23400  1.0 3.0
   74    72    41    44   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   42    41    44    45   0.23400  1.0 3.0
   42    41    44    46   0.23400  1.0 3.0
   42    41    44    47   0.23400  1.0 3.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    69   7.00000 -1.0 2.0
   50    43    48    49   1.00000 -1.0 2.0
   50    43    48    51  -0.33500  1.0 1.0
   50    43    48    51   1.06600 -1.0 2.0
   50    43    48    51  -0.14000  1.0 3.0
   54    50    58    59   0.34800  1.0 3.0
   54    50    58    60   0.34800  1.0 3.0
   54    50    58    61   0.34800  1.0 3.0
   58    50    54    55   0.34800  1.0 3.0
   58    50    54    56   0.34800  1.0 3.0
   58    50    54    57   0.34800  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
   38    48    43    50   1.10000 -1.0 2.0
   43    51    48    49  10.50000 -1.0 2.0
   51    65    62    63   1.10000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   54    58    50    43   1.10000 -1.0 2.0
END
