* LIGAND DATABASE FILE (OPLS2005)
*
001      69    70    131    201     376
    1     0 S   NP   _N1_     1    29.04780    92.55942   -24.64433
    2     1 S   H    _HN1     2     1.02960    86.87390    30.00228
    3     1 S   H    _H1_     3     1.02849    20.47148  -139.24165
    4     1 S   H    _H2_     4     1.02771   119.35258   -79.35828
    5     1 S   CT   _CA1     5     1.50108   115.99194   141.24069
    6     5 S   HC   _HA1     6     1.09574   105.22764    80.77077
    7     5 S   CO3  _C1_     7     1.53777   112.36600   -39.43349
    8     7 S   O2Z  _O11     8     1.26355   114.97329   -43.89101
    9     7 S   O2Z  _O12     9     1.26229   114.91622   135.30848
   10     5 S   CT   _CB1    10     1.53138   107.49581  -161.29185
   11    10 S   HC   HB11    11     1.09824   109.34231   -50.76366
   12    10 S   HC   HB12    12     1.09815   110.43843    65.80528
   13    10 S   CT   _CG1    13     1.53028   112.63758  -171.84197
   14    13 S   HC   HG11    14     1.09591   110.48794   -64.21736
   15    13 S   HC   HG12    15     1.09654   109.92146    54.97956
   16    13 S   C    _CD1    16     1.51781   112.38507   175.37179
   17    16 S   O    _OE1    17     1.22858   123.45272    -0.31898
   18    16 S   N    _N2_    18     1.38725   111.80206  -179.82529
   19    18 S   H    _HN2    19     1.01598   119.06670     3.16248
   20    18 S   CT1  _CA2    20     1.45899   123.07759   179.76179
   21    20 S   HC   _HA2    21     1.09173   108.09748    10.41579
   22    20 S   C    _C2_    22     1.52937   108.95141  -103.12093
   23    22 S   O    _O2_    23     1.22867   122.87013  -127.84309
   24    20 S   CT   _CB2    32     1.53031   112.25244   131.44638
   25    24 S   HC   HB21    33     1.09605   110.04438    45.58569
   26    24 S   HC   HB22    34     1.09145   111.51829   163.63274
   27    22 S   N    _N3_    24     1.38717   112.26225    59.27399
   28    27 S   H    _HN3    25     1.01441   119.19082    -5.82127
   29    24 S   S    _SG2    35     1.83286   110.99552   -73.00366
   30    27 S   CT   _CA3    26     1.45300   122.97671   164.36506
   31    30 S   HC   HA31    27     1.09505   109.25300    30.10983
   32    30 S   HC   HA32    28     1.09457   107.17756   147.87150
   33    29 S   CT   _C9_    36     1.85800   102.95971  -102.14566
   34    30 S   CO3  _C3_    29     1.53425   113.23283   -92.13419
   35    34 S   O2Z  _O31    30     1.26516   116.18910   -12.02175
   36    34 S   O2Z  _O32    31     1.26404   114.40898   168.53863
   37    33 S   CT   _C8_    37     1.56806   111.10600   -59.17348
   38    37 S   HC   _H11    38     1.09475   113.85327    78.61463
   39    37 S   HC   _H12    39     1.09721   110.87535   -42.69692
   40    33 S   S    _S1_    59     1.87882   110.65112    60.17484
   41    37 S   C4T  _C7_    40     1.53092   104.32424  -160.80766
   42    41 S   HC   _H4_    41     1.09728   113.14729   -87.92438
   43    40 S   CT   _C13    60     1.82972   102.20034    64.61677
   44    43 S   HC   _H13    61     1.09286   108.83487    68.26578
   45    43 S   HC   _H14    62     1.09322   110.55382   -50.64223
   46    41 S   C4T  _C6_    42     1.55791   124.54473   125.10764
   47    46 S   HC   _H3_    43     1.09838   113.54741     6.73231
   48    41 S   N4   _N4_    46     1.47024   101.72262    30.82947
   49    43 S   CT   _C14    63     1.52601   111.16102  -172.91053
   50    49 S   HC   _H15    64     1.09463   112.82702   -51.99121
   51    49 S   HC   _H16    65     1.09435   110.36984  -173.98738
   52    46 S   C4   _C11    44     1.55037    85.46778  -104.51713
   53    52 S   O    _O33    45     1.20981   135.85044   177.19132
   54    33 S   CT1  _C10    47     1.56476   114.18088  -174.33569
   55    54 S   HC   _H5_    48     1.09337   112.77028   -97.05845
   56    46 S   CT   _C5_    52     1.52250   117.36235   139.65546
   57    56 S   HC   _H9_    53     1.09624   110.89351    47.20538
   58    56 S   HC   _H10    54     1.09605   109.67308   165.38497
   59    49 S   NP   _N5_    66     1.48187   111.08520    68.63451
   60    59 S   H    _H17    67     1.02860   111.66542   177.39691
   61    59 S   H    _H18    68     1.03084   111.99268    57.23630
   62    59 S   H    _H19    69     1.03192   112.41132   -63.70616
   63    54 S   CO3  _C12    49     1.54788   115.90442    27.67035
   64    63 S   O2Z  _O35    50     1.26345   116.27524    58.96241
   65    63 S   O2Z  _O34    51     1.26524   114.31929  -121.02353
   66    56 S   CT   _C4_    55     1.51994   110.42994   -74.37528
   67    66 S   HC   _H6_    56     1.09494   110.97876   -58.90031
   68    66 S   HC   _H7_    57     1.09431   110.36049  -178.88812
   69    66 S   HC   _H8_    58     1.09472   111.18459    61.07165
  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  11   5   4   3
  18   2   1   1  14   7   6  12  13   6  10   5   4  12   7   8
   6   5   4   8   2   4   3   6   5   4   3   2   1   1   2   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    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    54    55    63    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    46    52    48    54    55    63    64    65    40    43    44    45    49  
   35    36  
   36  
    0  
   38    39    41    42    46    47    52    48    54    55    63    56    40    43  
   39    41    42    46    48    54    40  
   41    42    46    48    54    40  
   43    44    45    49    50    51    59    41    48    54    55    63  
   42    46    47    52    53    48    54    55    63    56    57    58    66  
   46    47    52    48    54    56  
   44    45    49    50    51    59    60    61    62    54  
   45    49    50    51    59  
   49    50    51    59  
   47    52    53    48    54    56    57    58    66    67    68    69  
   52    53    48    56    57    58    66  
   54    55    63    64    65    56    52    53  
   50    51    59    60    61    62  
   51    59    60    61    62  
   59    60    61    62  
   53    54    55    63    56    57    58    66  
   54    56  
   55    63    64    65  
   63    64    65  
   57    58    66    67    68    69  
   58    66    67    68    69  
   66    67    68    69  
   60    61    62  
   61    62  
   62  
    0  
   64    65  
   65  
    0  
   67    68    69  
   68    69  
   69  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   49   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   62   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   260.000  1.519
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    48   305.000  1.456
   46    47   340.000  1.090
   46    52   250.000  1.540
   46    56   260.000  1.519
   52    53   930.000  1.212
   52    48   440.000  1.369
   48    54   337.000  1.449
   54    55   340.000  1.090
   54    63   317.000  1.522
   63    64   656.000  1.250
   63    65   656.000  1.250
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    59   367.000  1.471
   59    60   434.000  1.010
   59    61   434.000  1.010
   59    62   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  108.68000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    70.00000  112.98000
   33    54    48    80.00000  109.70000
   33    54    55    37.50000  110.70000
   33    54    63    63.00000  111.10000
   33    40    43    62.00000   98.90000
   37    41    42    45.00000  112.72800
   37    41    46    65.00000  119.52000
   37    41    48    80.00000  110.05700
   39    37    38    33.00000  107.80000
   41    37    38    45.00000  111.22300
   41    37    39    45.00000  111.22300
   41    46    47    37.50000  110.70000
   41    46    52   100.00000   86.36000
   41    46    56    65.00000  119.52000
   41    48    52   100.00000   93.00000
   41    48    54    50.00000  132.70000
   46    41    42    37.50000  110.70000
   46    52    53    60.00000  136.58000
   46    52    48    95.00000   92.72400
   46    56    57    45.00000  111.22300
   46    56    58    45.00000  111.22300
   46    56    66    70.00000  112.98000
   52    46    47    40.00000  113.37500
   52    48    54    50.00000  132.10000
   48    41    42    50.00000  112.01000
   48    41    46   105.00000   87.49700
   48    52    53    75.00000  131.60000
   48    54    55    35.00000  109.50000
   48    54    63    63.00000  110.10000
   54    33    37    58.35000  112.70000
   54    63    64    70.00000  117.00000
   54    63    65    70.00000  117.00000
   63    54    55    35.00000  109.50000
   65    63    64    80.00000  126.00000
   56    46    47    45.00000  112.72800
   56    46    52    63.00000  111.10000
   56    66    67    37.50000  110.70000
   56    66    68    37.50000  110.70000
   56    66    69    37.50000  110.70000
   58    56    57    33.00000  107.80000
   66    56    57    37.50000  110.70000
   66    56    58    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   40    33    37    75.00000  111.63000
   40    33    54    75.00000  108.68000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    49    75.00000  111.63000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    59    80.00000  111.20000
   45    43    44    33.00000  107.80000
   49    43    44    37.50000  110.70000
   49    43    45    37.50000  110.70000
   49    59    60    35.00000  109.50000
   49    59    61    35.00000  109.50000
   49    59    62    35.00000  109.50000
   51    49    50    33.00000  107.80000
   59    49    50    35.00000  109.50000
   59    49    51    35.00000  109.50000
   61    59    60    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    54    48   0.71400  1.0 1.0
   29    33    54    48   0.04300 -1.0 2.0
   29    33    54    48   0.01450  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    63  -2.17200  1.0 1.0
   29    33    54    63  -0.85700 -1.0 2.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    46   0.04050  1.0 1.0
   33    37    41    46   0.63700 -1.0 2.0
   33    37    41    46   0.17650  1.0 3.0
   33    37   -41    48   0.43900  1.0 1.0
   33    37   -41    48   0.49100 -1.0 2.0
   33    37   -41    48   0.28400  1.0 3.0
   33    54    63    64   0.00000  1.0 1.0
   33    54    63    65   0.00000  1.0 1.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    49   0.01700  1.0 1.0
   33    40    43    49  -0.23550 -1.0 2.0
   33    40    43    49   0.21350  1.0 3.0
   37    33   -54    48   0.42250  1.0 1.0
   37    33   -54    48  -0.48100 -1.0 2.0
   37    33   -54    48   0.35650  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    63  -0.84850  1.0 1.0
   37    33    54    63  -0.22800 -1.0 2.0
   37    33    54    63   0.29250  1.0 3.0
   37    33    40    43   0.01700  1.0 1.0
   37    33    40    43  -0.23550 -1.0 2.0
   37    33    40    43   0.21350  1.0 3.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    52  -0.95700  1.0 1.0
   37    41    46    52  -0.18200 -1.0 2.0
   37    41    46    52   0.29450  1.0 3.0
   37    41    46    56   0.56750  1.0 1.0
   37    41    46    56  -0.07550 -1.0 2.0
   37    41    46    56   0.20000  1.0 3.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41   -48    54   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    46   0.00000  1.0 1.0
   38    37    41    48   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    46   0.00000  1.0 1.0
   39    37    41    48   0.15000  1.0 3.0
   41    46    52    53  -0.11250  1.0 1.0
   41    46    52    53   0.11400 -1.0 2.0
   41    46    52    53  -0.28950  1.0 3.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    56    57   0.00000  1.0 1.0
   41    46    56    58   0.00000  1.0 1.0
   41    46    56    66   0.04050  1.0 1.0
   41    46    56    66   0.63700 -1.0 2.0
   41    46    56    66   0.17650  1.0 3.0
   41    48   -54    33   0.00000  1.0 1.0
   41    48    54    55   0.00000  1.0 1.0
   41    48    54    63   0.00000  1.0 1.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   42    41    46    56   0.15000  1.0 3.0
   42    41   -48    52   0.00000  1.0 1.0
   42    41    48    54   0.00000  1.0 1.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    54   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    54   3.00000 -1.0 2.0
   46    56    66    67   0.15000  1.0 3.0
   46    56    66    68   0.15000  1.0 3.0
   46    56    66    69   0.15000  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    48   0.00000  1.0 1.0
   47    46    56    57   0.15000  1.0 3.0
   47    46    56    58   0.15000  1.0 3.0
   47    46    56    66   0.15000  1.0 3.0
   52    46    56    57  -0.11250  1.0 3.0
   52    46    56    58  -0.11250  1.0 3.0
   52    46    56    66  -0.95700  1.0 1.0
   52    46    56    66  -0.18200 -1.0 2.0
   52    46    56    66   0.29450  1.0 3.0
   52    48    54    33   0.00000  1.0 1.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    63   0.00000  1.0 1.0
   53    52   -48    41   3.00000 -1.0 2.0
   53    52    48    54   3.00000 -1.0 2.0
   48    41   -46    47   0.15000  1.0 3.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    41    46    56   0.43900  1.0 1.0
   48    41    46    56   0.49100 -1.0 2.0
   48    41    46    56   0.28400  1.0 3.0
   48    54    63    64   0.00000  1.0 1.0
   48    54    63    65   0.00000  1.0 1.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    41   0.31550 -1.0 2.0
   54    33   -37    41   0.11250  1.0 3.0
   54    33    40    43   0.01700  1.0 1.0
   54    33    40    43  -0.23550 -1.0 2.0
   54    33    40    43   0.21350  1.0 3.0
   55    54    63    64   0.00000  1.0 1.0
   55    54    63    65   0.00000  1.0 1.0
   56    46    52    53   0.30150 -1.0 2.0
   56    46   -52    48   1.39750  1.0 1.0
   56    46   -52    48  -0.07950 -1.0 2.0
   56    46   -52    48  -0.18750  1.0 3.0
   57    56    66    67   0.15000  1.0 3.0
   57    56    66    68   0.15000  1.0 3.0
   57    56    66    69   0.15000  1.0 3.0
   58    56    66    67   0.15000  1.0 3.0
   58    56    66    68   0.15000  1.0 3.0
   58    56    66    69   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.44750  1.0 1.0
   40    33    37    41  -0.17800 -1.0 2.0
   40    33    37    41   0.20200  1.0 3.0
   40    33    54    48   0.71400  1.0 1.0
   40    33    54    48   0.04300 -1.0 2.0
   40    33    54    48   0.01450  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33    54    63  -2.17200  1.0 1.0
   40    33    54    63  -0.85700 -1.0 2.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    59   0.56750  1.0 1.0
   40    43    49    59  -0.07550 -1.0 2.0
   40    43    49    59   0.20000  1.0 3.0
   43    49    59    60   0.17350  1.0 3.0
   43    49    59    61   0.17350  1.0 3.0
   43    49    59    62   0.17350  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    59   0.19200  1.0 3.0
   45    43    49    50   0.15000  1.0 3.0
   45    43    49    51   0.15000  1.0 3.0
   45    43    49    59   0.19200  1.0 3.0
   50    49    59    60   0.13050  1.0 3.0
   50    49    59    61   0.13050  1.0 3.0
   50    49    59    62   0.13050  1.0 3.0
   51    49    59    60   0.13050  1.0 3.0
   51    49    59    61   0.13050  1.0 3.0
   51    49    59    62   0.13050  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
   35    30    34    36  10.50000 -1.0 2.0
   46    48    52    53  10.50000 -1.0 2.0
   54    52    48    41   1.00000 -1.0 2.0
   64    54    63    65  10.50000 -1.0 2.0
END
