* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    143    225     427
    1     0 S   NP   _N1_     1    28.82680    95.88425   -21.40947
    2     1 S   H    _HN1     2     1.02829    39.15664   146.90236
    3     1 S   H    _H1_     3     1.02782    91.10427   -95.54381
    4     1 S   H    _H2_     4     1.02949    79.80662    12.88641
    5     1 S   CT   _CA1     5     1.50120   148.51096   125.54171
    6     5 S   HC   _HA1     6     1.09575   105.21263    73.59426
    7     5 S   CO3  _C1_     7     1.53812   112.23617   -46.60867
    8     7 S   O2Z  _O11     8     1.26374   115.01578   -47.09327
    9     7 S   O2Z  _O12     9     1.26226   114.91949   131.81645
   10     5 S   CT   _CB1    10     1.53069   107.38984  -168.53293
   11    10 S   HC   HB11    11     1.09830   109.42724   -50.03632
   12    10 S   HC   HB12    12     1.09813   110.45031    66.57172
   13    10 S   CT   _CG1    13     1.52974   112.56620  -171.01804
   14    13 S   HC   HG11    14     1.09582   110.51810   -63.70593
   15    13 S   HC   HG12    15     1.09658   109.89883    55.51309
   16    13 S   C    _CD1    16     1.51807   112.20989   175.97591
   17    16 S   O    _OE1    17     1.22736   123.29709     3.21187
   18    16 S   N    _N2_    18     1.38606   111.66948  -176.97095
   19    18 S   H    _HN2    19     1.01613   118.90978     1.65552
   20    18 S   CT1  _CA2    20     1.46290   123.43504   179.95577
   21    20 S   HC   _HA2    21     1.09732   109.42863    -0.38410
   22    20 S   C    _C2_    22     1.53425   108.70729  -116.09697
   23    22 S   O    _O2_    23     1.23057   122.26514  -147.82054
   24    20 S   CT   _CB2    32     1.53473   111.16802   121.54981
   25    24 S   HC   HB21    33     1.09202   108.97266    58.23950
   26    24 S   HC   HB22    34     1.09495   110.33713   176.56573
   27    22 S   N    _N3_    24     1.38333   113.65564    39.66357
   28    27 S   H    _HN3    25     1.01611   119.55106    -3.63470
   29    24 S   S    _SG2    35     1.82903   110.70070   -64.28767
   30    27 S   CT   _CA3    26     1.45285   123.12187   176.97314
   31    30 S   HC   HA31    27     1.09553   107.53991   -63.45779
   32    30 S   HC   HA32    28     1.09560   107.92488    52.93882
   33    29 S   CT   _C15    36     1.89446   103.33480   155.83555
   34    30 S   CO3  _C3_    29     1.52937   114.16141   174.92082
   35    34 S   O2Z  _O31    30     1.26363   116.08399    -0.47724
   36    34 S   O2Z  _O32    31     1.26436   114.40244   179.57113
   37    33 S   CT   _C8_    37     1.54537   109.10836   -63.79547
   38    37 S   HC   _H23    38     1.09683   111.04189  -179.97202
   39    37 S   HC   _H24    39     1.09401   112.54367    62.01052
   40    33 S   CT   _C18    71     1.55730   107.98944    52.43675
   41    40 S   HC   _H39    72     1.09577   111.00119   -63.32687
   42    40 S   HC   _H40    73     1.09294   111.59167   179.58410
   43    37 S   CO4  _C4_    40     1.50581   111.63357   -60.31874
   44    43 S   O    _O16    41     1.22993   121.61797   128.95530
   45    40 S   OH   _O17    74     1.41826   113.43612    57.82735
   46    45 S   HO   _H41    75     0.97236   107.30612  -179.49798
   47    43 S   CT   _C7_    42     1.50358   116.26378   -55.72995
   48    47 S   HC   _H21    43     1.09680   108.13250   170.32104
   49    47 S   HC   _H22    44     1.09554   107.53447   -74.13181
   50    47 S   CT   _C13    45     1.53947   112.38505    49.19389
   51    50 S   HC   _H32    46     1.09755   107.29707    70.97141
   52    33 S   CT   _C14    47     1.61581   108.60071   178.18447
   53    50 S   CT   _C17    67     1.54029   107.03442  -176.35804
   54    53 S   HC   _H36    68     1.09420   112.01757    61.07952
   55    53 S   HC   _H37    69     1.09653   109.98343   -57.68980
   56    53 S   HC   _H38    70     1.09202   112.72769  -176.42117
   57    52 S   CT   _C10    48     1.56393   112.57684   -60.59512
   58    57 S   HC   _H27    49     1.09389   111.78899   130.97978
   59    57 S   HC   _H28    50     1.09205   114.44113    12.15083
   60    57 S   CT   _C9_    51     1.52533   106.67564  -110.01892
   61    60 S   HC   _H25    52     1.09539   109.73427    86.05089
   62    60 S   HC   _H26    53     1.09498   111.46350  -154.49494
   63    60 S   CT   _C12    54     1.52592   103.96936   -33.30209
   64    63 S   HC   _H31    55     1.09754   107.65609   -72.69562
   65    52 S   CT   _C11    56     1.56803   111.79047  -176.15621
   66    65 S   HC   _H29    57     1.09262   112.10873    17.58388
   67    65 S   HC   _H30    58     1.09435   112.61516  -101.08522
   68    63 S   CM   _C6_    59     1.51782   117.73467   166.73981
   69    68 S   CM   _C5_    60     1.34320   124.49853     1.32441
   70    69 S   HC   _H19    61     1.08568   121.17350   179.12196
   71    69 S   HC   _H20    62     1.08363   122.53375    -0.58081
   72    68 S   CT   _C16    63     1.50685   115.59766   179.43110
   73    72 S   HC   _H33    64     1.09497   110.28818   -54.15723
   74    72 S   HC   _H34    65     1.09441   110.63864    66.04613
   75    72 S   HC   _H35    66     1.09536   112.22092  -173.89934
  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  13   5   4   3
  23   2   1   1  15   6   5   9   4   3   8   4   2   1  11   5
   4  14   7  16   5   2   1   1  11   6   5  10   5   4  12   6
   5   2   1   7   6   2   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    50    52    57    65    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    47    50    51    52    57    58    59    60    63    65    66    67    53    40    41    42    45    46  
   35    36  
   36  
    0  
   38    39    43    44    47    48    49    50    52    57    65    40    41    42    45  
   39    43    44    47    52    40  
   43    44    47    52    40  
   41    42    45    46    43    50    52    57    65  
   42    45    46    52  
   45    46    52  
   44    47    48    49    50    51    52    53  
   47    48    49    50  
   46    52  
    0  
   48    49    50    51    52    57    65    53    54    55    56  
   49    50    51    52    53  
   50    51    52    53  
   51    52    57    58    59    60    63    65    66    67    53    54    55    56  
   52    57    65    53    54    55    56  
   57    58    59    60    61    62    63    64    65    66    67    68    53    54    55    56  
   54    55    56    57    65  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66    67    68  
   59    60    61    62    63    65  
   60    61    62    63    65  
   61    62    63    64    65    66    67    68    69    72  
   62    63    64    65    68  
   63    64    65    68  
   64    65    66    67    68    69    70    71    72    73    74    75  
   65    66    67    68    69    72  
   66    67    68    69    72  
   67    68  
   68  
   69    70    71    72    73    74    75  
   70    71    72    73    74    75  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    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   0.167500   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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
   75   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    52   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    57   268.000  1.529
   52    65   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   68    69   549.000  1.340
   68    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   320.000  1.410
   45    46   553.000  0.945
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    52    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    52    50    58.35000  112.70000
   33    52    57    58.35000  112.70000
   33    52    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    50.00000  109.50000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    52    65    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    33    37    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    60    58.35000  112.70000
   52    65    63    58.35000  112.70000
   52    65    66    37.50000  110.70000
   52    65    67    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    68    70.00000  112.02700
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    68    69    70.00000  124.00000
   63    68    72    65.00000  117.92700
   65    52    57    58.35000  112.70000
   65    63    64    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    70.00000  112.02700
   68    69    70    35.00000  120.00000
   68    69    71    35.00000  120.00000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    68    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    45    46    55.00000  108.50000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    52    50   0.44750  1.0 1.0
   29    33    52    50  -0.17800 -1.0 2.0
   29    33    52    50   0.20200  1.0 3.0
   29    33    52    57   0.44750  1.0 1.0
   29    33    52    57  -0.17800 -1.0 2.0
   29    33    52    57   0.20200  1.0 3.0
   29    33    52    65   0.44750  1.0 1.0
   29    33    52    65  -0.17800 -1.0 2.0
   29    33    52    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    47   0.60050  1.0 1.0
   33    37    43    47   0.05600 -1.0 2.0
   33    37    43    47   0.26150  1.0 3.0
   33    52    57    58   0.15000  1.0 3.0
   33    52    57    59   0.15000  1.0 3.0
   33    52    57    60   0.56750  1.0 1.0
   33    52    57    60  -0.07550 -1.0 2.0
   33    52    57    60   0.20000  1.0 3.0
   33    52    65    63   0.56750  1.0 1.0
   33    52    65    63  -0.07550 -1.0 2.0
   33    52    65    63   0.20000  1.0 3.0
   33    52    65    66   0.15000  1.0 3.0
   33    52    65    67   0.15000  1.0 3.0
   33    40    45    46  -0.11600  1.0 1.0
   33    40    45    46  -0.09450 -1.0 2.0
   33    40    45    46   0.21250  1.0 3.0
   37    33    52    50   0.56750  1.0 1.0
   37    33    52    50  -0.07550 -1.0 2.0
   37    33    52    50   0.20000  1.0 3.0
   37    33    52    57   0.56750  1.0 1.0
   37    33    52    57  -0.07550 -1.0 2.0
   37    33    52    57   0.20000  1.0 3.0
   37    33    52    65   0.56750  1.0 1.0
   37    33    52    65  -0.07550 -1.0 2.0
   37    33    52    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.86500  1.0 1.0
   37    33    40    45  -0.17500 -1.0 2.0
   37    33    40    45   0.20800  1.0 3.0
   37    43    47    48   0.00000  1.0 1.0
   37    43    47    49   0.00000  1.0 1.0
   37    43   -47    50   0.60050  1.0 1.0
   37    43   -47    50   0.05600 -1.0 2.0
   37    43   -47    50   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    47   0.00000  1.0 1.0
   43    47    50    51  -0.11250  1.0 3.0
   43    47    50    52  -0.95700  1.0 1.0
   43    47    50    52  -0.18200 -1.0 2.0
   43    47    50    52   0.29450  1.0 3.0
   43    47    50    53  -0.95700  1.0 1.0
   43    47    50    53  -0.18200 -1.0 2.0
   43    47    50    53   0.29450  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    50   0.30150 -1.0 2.0
   47    50   -52    33   0.56750  1.0 1.0
   47    50   -52    33  -0.07550 -1.0 2.0
   47    50   -52    33   0.20000  1.0 3.0
   47    50    52    57   0.56750  1.0 1.0
   47    50    52    57  -0.07550 -1.0 2.0
   47    50    52    57   0.20000  1.0 3.0
   47    50    52    65   0.56750  1.0 1.0
   47    50    52    65  -0.07550 -1.0 2.0
   47    50    52    65   0.20000  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50    53    56   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    60   0.56750  1.0 1.0
   50    52    57    60  -0.07550 -1.0 2.0
   50    52    57    60   0.20000  1.0 3.0
   50    52    65    63   0.56750  1.0 1.0
   50    52    65    63  -0.07550 -1.0 2.0
   50    52    65    63   0.20000  1.0 3.0
   50    52    65    66   0.15000  1.0 3.0
   50    52    65    67   0.15000  1.0 3.0
   51    50    52    33   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    52    65   0.15000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    43  -0.95700  1.0 1.0
   52    33   -37    43  -0.18200 -1.0 2.0
   52    33   -37    43   0.29450  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    42   0.15000  1.0 3.0
   52    33    40    45   0.86500  1.0 1.0
   52    33    40    45  -0.17500 -1.0 2.0
   52    33    40    45   0.20800  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57   -60    63   0.56750  1.0 1.0
   52    57   -60    63  -0.07550 -1.0 2.0
   52    57   -60    63   0.20000  1.0 3.0
   57    52   -65    63   0.56750  1.0 1.0
   57    52   -65    63  -0.07550 -1.0 2.0
   57    52   -65    63   0.20000  1.0 3.0
   57    52    65    66   0.15000  1.0 3.0
   57    52    65    67   0.15000  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60   -63    65   0.56750  1.0 1.0
   57    60   -63    65  -0.07550 -1.0 2.0
   57    60   -63    65   0.20000  1.0 3.0
   57    60    63    68   0.34400  1.0 1.0
   57    60    63    68   0.09450 -1.0 2.0
   57    60    63    68   0.11100  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63   -65    52   0.56750  1.0 1.0
   60    63   -65    52  -0.07550 -1.0 2.0
   60    63   -65    52   0.20000  1.0 3.0
   60    63    65    66   0.15000  1.0 3.0
   60    63    65    67   0.15000  1.0 3.0
   60    63    68    69   0.09850  1.0 1.0
   60    63    68    69   0.15250 -1.0 2.0
   60    63    68    69  -0.50650  1.0 3.0
   60    63    68    72   0.46850  1.0 1.0
   60    63    68    72   0.08550 -1.0 2.0
   60    63    68    72   0.09800  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    68   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    68   0.15000  1.0 3.0
   63    68    69    70   7.00000 -1.0 2.0
   63    68    69    71   7.00000 -1.0 2.0
   63    68    72    73   0.34800  1.0 3.0
   63    68    72    74   0.34800  1.0 3.0
   63    68    72    75   0.34800  1.0 3.0
   64    63    65    52   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    67   0.15000  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    72   0.34800  1.0 3.0
   65    52    57    58   0.15000  1.0 3.0
   65    52    57    59   0.15000  1.0 3.0
   65    52   -57    60   0.56750  1.0 1.0
   65    52   -57    60  -0.07550 -1.0 2.0
   65    52   -57    60   0.20000  1.0 3.0
   65    63    68    69   0.09850  1.0 1.0
   65    63    68    69   0.15250 -1.0 2.0
   65    63    68    69  -0.50650  1.0 3.0
   65    63    68    72   0.46850  1.0 1.0
   65    63    68    72   0.08550 -1.0 2.0
   65    63    68    72   0.09800  1.0 3.0
   68    63    65    52   0.34400  1.0 1.0
   68    63    65    52   0.09450 -1.0 2.0
   68    63    65    52   0.11100  1.0 3.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   69    68    72    75   0.00000  1.0 1.0
   72    68    69    70   7.00000 -1.0 2.0
   72    68    69    71   7.00000 -1.0 2.0
   53    50    52    33   0.56750  1.0 1.0
   53    50    52    33  -0.07550 -1.0 2.0
   53    50    52    33   0.20000  1.0 3.0
   53    50    52    57   0.56750  1.0 1.0
   53    50    52    57  -0.07550 -1.0 2.0
   53    50    52    57   0.20000  1.0 3.0
   53    50    52    65   0.56750  1.0 1.0
   53    50    52    65  -0.07550 -1.0 2.0
   53    50    52    65   0.20000  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    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    52    50   0.56750  1.0 1.0
   40    33    52    50  -0.07550 -1.0 2.0
   40    33    52    50   0.20000  1.0 3.0
   40    33    52    57   0.56750  1.0 1.0
   40    33    52    57  -0.07550 -1.0 2.0
   40    33    52    57   0.20000  1.0 3.0
   40    33    52    65   0.56750  1.0 1.0
   40    33    52    65  -0.07550 -1.0 2.0
   40    33    52    65   0.20000  1.0 3.0
   41    40    45    46   0.19450  1.0 3.0
   42    40    45    46   0.19450  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
   63    72    68    69  15.00000 -1.0 2.0
   70    71    69    68  15.00000 -1.0 2.0
END
