* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     429
    1     0 S   NP   _N1_     1    28.72498    95.78140   -23.47684
    2     1 S   H    _HN1     2     1.02829    34.12278   167.59077
    3     1 S   H    _H1_     3     1.02784   103.29706   -90.07125
    4     1 S   H    _H2_     4     1.02951    76.95959    16.02601
    5     1 S   CT   _CA1     5     1.50108   138.16107   122.15111
    6     5 S   HC   _HA1     6     1.09574   105.21899    84.51360
    7     5 S   CO3  _C1_     7     1.53797   112.43217   -35.73463
    8     7 S   O2Z  _O11     8     1.26367   115.01191   -43.41955
    9     7 S   O2Z  _O12     9     1.26241   114.94256   135.75578
   10     5 S   CT   _CB1    10     1.53087   107.42468  -157.52527
   11    10 S   HC   HB11    11     1.09829   109.38434   -50.16262
   12    10 S   HC   HB12    12     1.09814   110.43589    66.44239
   13    10 S   CT   _CG1    13     1.52979   112.59263  -171.17915
   14    13 S   HC   HG11    14     1.09591   110.55200   -64.51783
   15    13 S   HC   HG12    15     1.09666   109.86084    54.70013
   16    13 S   C    _CD1    16     1.51798   112.32090   175.12790
   17    16 S   O    _OE1    17     1.22718   123.30364     2.93732
   18    16 S   N    _N2_    18     1.38635   111.57646  -176.99658
   19    18 S   H    _HN2    19     1.01567   118.94387     2.08675
   20    18 S   CT1  _CA2    20     1.46271   123.51111   178.54788
   21    20 S   HC   _HA2    21     1.09734   109.39593     1.99213
   22    20 S   C    _C2_    22     1.53542   108.38112  -113.50525
   23    22 S   O    _O2_    23     1.23042   122.44036  -146.52191
   24    20 S   CT   _CB2    32     1.53338   111.47524   124.00952
   25    24 S   HC   HB21    33     1.09594   109.94533    55.95735
   26    24 S   HC   HB22    34     1.09390   110.12164   174.81020
   27    22 S   N    _N3_    24     1.38385   113.61801    40.83844
   28    27 S   H    _HN3    25     1.01586   119.55985    -3.20461
   29    24 S   S    _SG2    35     1.82924   111.31838   -64.54573
   30    27 S   CT   _CA3    26     1.45279   123.16077   177.15497
   31    30 S   HC   HA31    27     1.09551   107.49147   -64.84428
   32    30 S   HC   HA32    28     1.09557   108.00014    51.58326
   33    29 S   CT   _C13    36     1.86055    99.57554   176.73074
   34    33 S   HC   _H3_    37     1.09787   102.49754   -39.97019
   35    30 S   CO3  _C3_    29     1.52945   114.11493   173.58143
   36    35 S   O2Z  _O31    30     1.26372   116.07661    -1.19354
   37    35 S   O2Z  _O32    31     1.26433   114.40588   178.87708
   38    33 S   CT   _C10    38     1.57875   119.57172    78.01129
   39    38 S   OM   _O16    39     1.32093   112.42674     2.47283
   40    38 S   HC   _H29    40     1.09918   105.09442  -128.21928
   41    38 S   C3T  _C15    41     1.53958   104.16241   121.38403
   42    41 S   C3T  _C7_    42     1.52965   117.97554   146.81258
   43    42 S   HC   _H25    43     1.07904   121.39124  -148.35233
   44    42 S   HC   _H26    44     1.08401   118.29437    -0.22381
   45    41 S   CT   _C14    46     1.53403   111.65355   -11.83405
   46    41 S   O3T  _O19    45     1.44563   117.49833  -147.93180
   47    45 S   CT   _C12    47     1.55603   117.75917   146.93927
   48    47 S   HC   _H31    48     1.09632   107.24892   164.58631
   49    45 S   CT   _C18    71     1.55474   108.16637   -91.19341
   50    49 S   HC   _H36    72     1.09391   112.20473    54.00505
   51    49 S   HC   _H37    73     1.09607   111.09150   -65.64729
   52    49 S   HC   _H38    74     1.09558   111.73720   174.92881
   53    47 S   CT   _C11    49     1.54207   115.22386   -76.67073
   54    53 S   HC   _H30    50     1.09497   111.72773   170.30665
   55    47 S   OH   _O20    69     1.42476   111.62235    50.89407
   56    55 S   HO   _H39    70     0.97205   107.90602   175.31115
   57    53 S   CT   _C9_    51     1.52749   112.18451   -62.39976
   58    57 S   HC   _H28    52     1.10451   106.58558   179.63846
   59    57 S   CT   _C8_    53     1.54222    97.07945    69.59319
   60    59 S   HC   _H27    54     1.09502   110.15707   163.99213
   61    57 S   CM   _C6_    61     1.51456   119.07555   -63.89151
   62    59 S   CO4  _C4_    55     1.51444    96.75030    49.01052
   63    62 S   O    _O17    56     1.21928   126.78187   146.06296
   64    33 S   CT   _C16    58     1.57636   113.15490  -155.02502
   65    61 S   CM   _C5_    62     1.34317   123.17080   149.01348
   66    65 S   HC   _H23    63     1.08539   121.44901   177.02310
   67    65 S   HC   _H24    64     1.08406   122.03051    -1.76370
   68    61 S   CT   _C17    65     1.50654   116.98842   -37.72579
   69    68 S   HC   _H33    66     1.09511   110.17936   -51.58608
   70    68 S   HC   _H34    67     1.09322   111.20286    68.85186
   71    68 S   HC   _H35    68     1.09554   112.16855  -171.02060
   72    53 S   OS   _O18    57     1.44214   110.87886    50.06842
   73    64 S   OH   _O21    59     1.42741   111.26377     9.80050
   74    73 S   HO   _H40    60     0.97287   107.64980    34.74665
  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   6   5  16   7   3   2  19   3  17   8
   8   3   2   1  14   7   4   1  16   8  10   6  10   4   2   3
   6   2   1   3   2   1   1   1   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    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    59    64    73  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    45    47    57    59    60    62    64    73    74    49  
   38    39    40    41    45    59    64    73  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    45    47    59    64    73    49  
   40    41    42    46    45    64  
   41    42    46    45    64  
   42    43    44    46    45    47    48    53    59    64    73    55    49    50    51    52  
   43    44    46    45    47    64    49  
   44    46    45  
   46    45  
   47    48    53    54    57    59    60    62    72    64    73    74    55    56    49    50    51    52    46  
   47    64    49  
   48    53    54    57    58    59    62    72    64    73    61    55    56    49    50    51    52  
   53    54    57    72    64    55    56    49  
   50    51    52    53    55    59    64    73  
   51    52    64  
   52    64  
   64  
   54    57    58    59    60    62    63    72    64    61    65    68    55    56  
   57    58    59    62    72    61    55  
   56    57    64    72  
    0  
   58    59    60    62    63    72    64    73    61    65    66    67    68    69    70    71  
   59    60    62    72    64    61    65    68  
   60    62    63    72    64    73    74    61    65    68  
   62    63    72    64    73    61  
   65    66    67    68    69    70    71    62    64    72  
   63    72    64    73  
   72    64  
   73    74    72  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
    0  
   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    64   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   260.000  1.509
   41    46   335.000  1.432
   41    45   275.000  1.510
   42    43   340.000  1.088
   42    44   340.000  1.088
   42    46   335.000  1.432
   45    47   268.000  1.529
   45    64   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    72   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   317.000  1.510
   59    60   340.000  1.090
   59    62   317.000  1.522
   59    64   268.000  1.529
   62    63   570.000  1.229
   62    72   214.000  1.327
   64    73   320.000  1.410
   73    74   553.000  0.945
   61    65   549.000  1.340
   61    68   317.000  1.510
   65    66   340.000  1.080
   65    67   340.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    64    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    64    45    58.35000  112.70000
   33    64    59    58.35000  112.70000
   33    64    73    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    60.00000  120.94000
   38    41    46    80.00000  116.47100
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    42    43    37.50000  117.20000
   41    42    44    37.50000  117.20000
   41    42    46    15.00000   60.43100
   41    46    42    15.00000   59.14900
   41    45    47    70.00000  112.37300
   41    45    64    70.00000  112.37300
   41    45    49    70.00000  112.37300
   44    42    43    35.00000  114.30000
   46    41    42    15.00000   60.43100
   46    42    43    50.00000  114.27700
   46    42    44    50.00000  114.27700
   45    41    42    60.00000  120.94000
   45    41    46    80.00000  116.47100
   45    47    48    37.50000  110.70000
   45    47    53    58.35000  112.70000
   45    47    55    50.00000  109.50000
   45    64    59    58.35000  112.70000
   45    64    73    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    72    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    47    48    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    58.35000  112.70000
   53    57    61    70.00000  112.02700
   53    72    62    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    62    63.00000  111.10000
   57    59    64    58.35000  112.70000
   57    61    65    70.00000  124.00000
   57    61    68    65.00000  117.92700
   59    57    58    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    72    81.00000  111.40000
   59    64    73    50.00000  109.50000
   62    59    60    35.00000  109.50000
   72    53    54    35.00000  109.50000
   72    53    57    50.00000  109.50000
   72    62    63    83.00000  123.40000
   64    33    34    37.50000  110.70000
   64    33    38    58.35000  112.70000
   64    45    47    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    59    62    63.00000  111.10000
   64    73    74    55.00000  108.50000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  112.02700
   61    65    66    35.00000  120.00000
   61    65    67    35.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    65    66    35.00000  117.00000
   68    61    65    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   49    45    47    58.35000  112.70000
   49    45    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    64    45   0.44750  1.0 1.0
   29    33    64    45  -0.17800 -1.0 2.0
   29    33    64    45   0.20200  1.0 3.0
   29    33    64    59   0.44750  1.0 1.0
   29    33    64    59  -0.17800 -1.0 2.0
   29    33    64    59   0.20200  1.0 3.0
   29    33    64    73   0.56750  1.0 1.0
   29    33    64    73  -0.07550 -1.0 2.0
   29    33    64    73   0.20000  1.0 3.0
   33    38    41    42   0.07850  1.0 1.0
   33    38    41    42  -0.03950 -1.0 2.0
   33    38    41    42   0.67350  1.0 3.0
   33    38    41    46   0.02550  1.0 1.0
   33    38    41    46  -0.02600 -1.0 2.0
   33    38    41    46   1.20400  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    64    73    74  -0.11600  1.0 1.0
   33    64    73    74  -0.09450 -1.0 2.0
   33    64    73    74   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    64    45   0.15000  1.0 3.0
   34    33    64    59   0.15000  1.0 3.0
   34    33    64    73   0.23400  1.0 3.0
   38    33   -64    45   0.56750  1.0 1.0
   38    33   -64    45  -0.07550 -1.0 2.0
   38    33   -64    45   0.20000  1.0 3.0
   38    33    64    59   0.56750  1.0 1.0
   38    33    64    59  -0.07550 -1.0 2.0
   38    33    64    59   0.20000  1.0 3.0
   38    33    64    73   0.86500  1.0 1.0
   38    33    64    73  -0.17500 -1.0 2.0
   38    33    64    73   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    44   0.15000  1.0 3.0
   38    41   -42    46   0.02550  1.0 1.0
   38    41   -42    46  -0.02600 -1.0 2.0
   38    41   -42    46   1.20400  1.0 3.0
   38    41   -46    42   0.06250  1.0 1.0
   38    41   -46    42  -0.01100 -1.0 2.0
   38    41   -46    42   0.28050  1.0 3.0
   38    41    45    47   0.56750  1.0 1.0
   38    41    45    47  -0.07550 -1.0 2.0
   38    41    45    47   0.20000  1.0 3.0
   38    41   -45    64   0.56750  1.0 1.0
   38    41   -45    64  -0.07550 -1.0 2.0
   38    41   -45    64   0.20000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   39    38    41    42  -0.26800  1.0 1.0
   39    38    41    42   0.69150 -1.0 2.0
   39    38    41    42  -0.48750  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    53   0.47050  1.0 1.0
   41    45    47    53   0.03900 -1.0 2.0
   41    45    47    53   0.20100  1.0 3.0
   41    45    47    55   0.86500  1.0 1.0
   41    45    47    55  -0.17500 -1.0 2.0
   41    45    47    55   0.20800  1.0 3.0
   41    45   -64    33   0.47050  1.0 1.0
   41    45   -64    33   0.03900 -1.0 2.0
   41    45   -64    33   0.20100  1.0 3.0
   41    45    64    59   0.47050  1.0 1.0
   41    45    64    59   0.03900 -1.0 2.0
   41    45    64    59   0.20100  1.0 3.0
   41    45    64    73   0.86500  1.0 1.0
   41    45    64    73  -0.17500 -1.0 2.0
   41    45    64    73   0.20800  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    52   0.15000  1.0 3.0
   42    41    45    47   0.07850  1.0 1.0
   42    41    45    47  -0.03950 -1.0 2.0
   42    41    45    47   0.67350  1.0 3.0
   42    41    45    64   0.07850  1.0 1.0
   42    41    45    64  -0.03950 -1.0 2.0
   42    41    45    64   0.67350  1.0 3.0
   42    41    45    49   0.07850  1.0 1.0
   42    41    45    49  -0.03950 -1.0 2.0
   42    41    45    49   0.67350  1.0 3.0
   43    42   -46    41   0.36800  1.0 3.0
   44    42   -46    41   0.36800  1.0 3.0
   46    41   -42    43   0.23400  1.0 3.0
   46    41   -42    44   0.23400  1.0 3.0
   46    41    45    47   0.02550  1.0 1.0
   46    41    45    47  -0.02600 -1.0 2.0
   46    41    45    47   1.20400  1.0 3.0
   46    41    45    64   0.02550  1.0 1.0
   46    41    45    64  -0.02600 -1.0 2.0
   46    41    45    64   1.20400  1.0 3.0
   46    41    45    49   0.02550  1.0 1.0
   46    41    45    49  -0.02600 -1.0 2.0
   46    41    45    49   1.20400  1.0 3.0
   45    41    42    43   0.15000  1.0 3.0
   45    41    42    44   0.15000  1.0 3.0
   45    41   -42    46   0.02550  1.0 1.0
   45    41   -42    46  -0.02600 -1.0 2.0
   45    41   -42    46   1.20400  1.0 3.0
   45    41   -46    42   0.06250  1.0 1.0
   45    41   -46    42  -0.01100 -1.0 2.0
   45    41   -46    42   0.28050  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    57   0.56750  1.0 1.0
   45    47    53    57  -0.07550 -1.0 2.0
   45    47    53    57   0.20000  1.0 3.0
   45    47    53    72   0.62750  1.0 1.0
   45    47    53    72  -0.30950 -1.0 2.0
   45    47    53    72   0.27300  1.0 3.0
   45    47    55    56  -0.11600  1.0 1.0
   45    47    55    56  -0.09450 -1.0 2.0
   45    47    55    56   0.21250  1.0 3.0
   45    64    73    74  -0.11600  1.0 1.0
   45    64    73    74  -0.09450 -1.0 2.0
   45    64    73    74   0.21250  1.0 3.0
   47    45    64    33   0.56750  1.0 1.0
   47    45    64    33  -0.07550 -1.0 2.0
   47    45    64    33   0.20000  1.0 3.0
   47    45    64    59   0.56750  1.0 1.0
   47    45    64    59  -0.07550 -1.0 2.0
   47    45    64    59   0.20000  1.0 3.0
   47    45    64    73   0.86500  1.0 1.0
   47    45    64    73  -0.17500 -1.0 2.0
   47    45    64    73   0.20800  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    52   0.15000  1.0 3.0
   47    53    57    58   0.15000  1.0 3.0
   47    53   -57    59   0.56750  1.0 1.0
   47    53   -57    59  -0.07550 -1.0 2.0
   47    53   -57    59   0.20000  1.0 3.0
   47    53    57    61   0.34400  1.0 1.0
   47    53    57    61   0.09450 -1.0 2.0
   47    53    57    61   0.11100  1.0 3.0
   47    53    72    62  -0.25900  1.0 1.0
   47    53    72    62  -0.47000 -1.0 2.0
   47    53    72    62   0.11750  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    57   0.15000  1.0 3.0
   48    47    53    72   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    57    59    60   0.15000  1.0 3.0
   53    57   -59    62  -0.95700  1.0 1.0
   53    57   -59    62  -0.18200 -1.0 2.0
   53    57   -59    62   0.29450  1.0 3.0
   53    57    59    64   0.56750  1.0 1.0
   53    57    59    64  -0.07550 -1.0 2.0
   53    57    59    64   0.20000  1.0 3.0
   53    57    61    65   0.09850  1.0 1.0
   53    57    61    65   0.15250 -1.0 2.0
   53    57    61    65  -0.50650  1.0 3.0
   53    57    61    68   0.46850  1.0 1.0
   53    57    61    68   0.08550 -1.0 2.0
   53    57    61    68   0.09800  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    72    62   0.08050  1.0 3.0
   57    53   -72    62  -0.25900  1.0 1.0
   57    53   -72    62  -0.47000 -1.0 2.0
   57    53   -72    62   0.11750  1.0 3.0
   57    59    62    63   0.30150 -1.0 2.0
   57    59   -62    72   0.36750  1.0 3.0
   57    59    64    33   0.56750  1.0 1.0
   57    59    64    33  -0.07550 -1.0 2.0
   57    59    64    33   0.20000  1.0 3.0
   57    59   -64    45   0.56750  1.0 1.0
   57    59   -64    45  -0.07550 -1.0 2.0
   57    59   -64    45   0.20000  1.0 3.0
   57    59    64    73   0.86500  1.0 1.0
   57    59    64    73  -0.17500 -1.0 2.0
   57    59    64    73   0.20800  1.0 3.0
   57    61    65    66   7.00000 -1.0 2.0
   57    61    65    67   7.00000 -1.0 2.0
   57    61    68    69   0.34800  1.0 3.0
   57    61    68    70   0.34800  1.0 3.0
   57    61    68    71   0.34800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62  -0.11250  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    61    65   0.00000  1.0 1.0
   58    57    61    68   0.34800  1.0 3.0
   59    57    61    65   0.09850  1.0 1.0
   59    57    61    65   0.15250 -1.0 2.0
   59    57    61    65  -0.50650  1.0 3.0
   59    57    61    68   0.46850  1.0 1.0
   59    57    61    68   0.08550 -1.0 2.0
   59    57    61    68   0.09800  1.0 3.0
   59    62   -72    53   1.63150  1.0 1.0
   59    62   -72    53   2.92000 -1.0 2.0
   59    64    73    74  -0.11600  1.0 1.0
   59    64    73    74  -0.09450 -1.0 2.0
   59    64    73    74   0.21250  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    72   0.00000  1.0 1.0
   60    59    64    33   0.15000  1.0 3.0
   60    59    64    45   0.15000  1.0 3.0
   60    59    64    73   0.23400  1.0 3.0
   62    59    64    33  -0.95700  1.0 1.0
   62    59    64    33  -0.18200 -1.0 2.0
   62    59    64    33   0.29450  1.0 3.0
   62    59    64    45  -0.95700  1.0 1.0
   62    59    64    45  -0.18200 -1.0 2.0
   62    59    64    45   0.29450  1.0 3.0
   62    59    64    73  -0.09450  1.0 1.0
   62    59    64    73  -1.12950 -1.0 2.0
   62    59    64    73   0.54000  1.0 3.0
   63    62    72    53   3.00000 -1.0 2.0
   72    53    57    58   0.23400  1.0 3.0
   72    53   -57    59   0.62750  1.0 1.0
   72    53   -57    59  -0.30950 -1.0 2.0
   72    53   -57    59   0.27300  1.0 3.0
   72    53    57    61   0.61850  1.0 1.0
   72    53    57    61  -0.22750 -1.0 2.0
   72    53    57    61   0.15300  1.0 3.0
   64    33    38    39   0.62750  1.0 1.0
   64    33    38    39  -0.30950 -1.0 2.0
   64    33    38    39   0.27300  1.0 3.0
   64    33    38    40   0.15000  1.0 3.0
   64    33   -38    41   0.47050  1.0 1.0
   64    33   -38    41   0.03900 -1.0 2.0
   64    33   -38    41   0.20100  1.0 3.0
   64    45    47    48   0.15000  1.0 3.0
   64    45   -47    53   0.56750  1.0 1.0
   64    45   -47    53  -0.07550 -1.0 2.0
   64    45   -47    53   0.20000  1.0 3.0
   64    45    47    55   0.86500  1.0 1.0
   64    45    47    55  -0.17500 -1.0 2.0
   64    45    47    55   0.20800  1.0 3.0
   64    45    49    50   0.15000  1.0 3.0
   64    45    49    51   0.15000  1.0 3.0
   64    45    49    52   0.15000  1.0 3.0
   64    59    62    63   0.30150 -1.0 2.0
   64    59    62    72   0.36750  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    62  -0.98800  1.0 1.0
   61    57    59    62   0.48800 -1.0 2.0
   61    57    59    62   0.76800  1.0 3.0
   61    57    59    64   0.34400  1.0 1.0
   61    57    59    64   0.09450 -1.0 2.0
   61    57    59    64   0.11100  1.0 3.0
   65    61    68    69   0.00000  1.0 1.0
   65    61    68    70   0.00000  1.0 1.0
   65    61    68    71   0.00000  1.0 1.0
   68    61    65    66   7.00000 -1.0 2.0
   68    61    65    67   7.00000 -1.0 2.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    57   0.86500  1.0 1.0
   55    47    53    57  -0.17500 -1.0 2.0
   55    47    53    57   0.20800  1.0 3.0
   55    47    53    72   3.69350  1.0 1.0
   55    47    53    72  -1.82950 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    53   0.56750  1.0 1.0
   49    45    47    53  -0.07550 -1.0 2.0
   49    45    47    53   0.20000  1.0 3.0
   49    45    47    55   0.86500  1.0 1.0
   49    45    47    55  -0.17500 -1.0 2.0
   49    45    47    55   0.20800  1.0 3.0
   49    45    64    33   0.56750  1.0 1.0
   49    45    64    33  -0.07550 -1.0 2.0
   49    45    64    33   0.20000  1.0 3.0
   49    45    64    59   0.56750  1.0 1.0
   49    45    64    59  -0.07550 -1.0 2.0
   49    45    64    59   0.20000  1.0 3.0
   49    45    64    73   0.86500  1.0 1.0
   49    45    64    73  -0.17500 -1.0 2.0
   49    45    64    73   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   59    72    62    63  10.50000 -1.0 2.0
   57    68    61    65  15.00000 -1.0 2.0
   66    67    65    61  15.00000 -1.0 2.0
END
