* LIGAND DATABASE FILE (OPLS2005)
*
001      69    71    129    204     379
    1     0 S   NP   _N1_     1    28.78926    94.88907   -24.41686
    2     1 S   H    _HN1     2     1.02949    79.33520    15.05140
    3     1 S   H    _H1_     3     1.02826    28.74196   179.83331
    4     1 S   H    _H2_     4     1.02784   110.81794   -90.70295
    5     1 S   CT   _CA1     5     1.50114   129.35690   122.74644
    6     5 S   HC   _HA1     6     1.09574   105.18917    84.79338
    7     5 S   CO3  _C1_     7     1.53776   112.46372   -35.41878
    8     7 S   O2Z  _O11     8     1.26370   114.99850   -42.47767
    9     7 S   O2Z  _O12     9     1.26239   114.93667   136.62456
   10     5 S   CT   _CB1    10     1.53073   107.41278  -157.24695
   11    10 S   HC   HB11    11     1.09833   109.33135   -49.91563
   12    10 S   HC   HB12    12     1.09812   110.46438    66.68099
   13    10 S   CT   _CG1    13     1.52988   112.61995  -170.90582
   14    13 S   HC   HG11    14     1.09584   110.63135   -66.24479
   15    13 S   HC   HG12    15     1.09672   109.78560    52.98999
   16    13 S   C    _CD1    16     1.51800   112.21093   173.41027
   17    16 S   O    _OE1    17     1.22730   123.29072     7.15174
   18    16 S   N    _N2_    18     1.38646   111.67316  -172.89532
   19    18 S   H    _HN2    19     1.01580   118.90610     1.54801
   20    18 S   CT1  _CA2    20     1.46203   123.38745   177.22188
   21    20 S   HC   _HA2    21     1.09736   109.44114     2.44785
   22    20 S   C    _C2_    22     1.53542   108.39283  -113.03682
   23    22 S   O    _O2_    23     1.23049   122.31790  -146.41520
   24    20 S   CT   _CB2    32     1.53434   111.56626   124.58845
   25    24 S   HC   HB21    33     1.09351   109.59817    56.85134
   26    24 S   HC   HB22    34     1.09421   109.62661   175.47693
   27    22 S   N    _N3_    24     1.38339   113.65141    40.91441
   28    27 S   H    _HN3    25     1.01587   119.59726    -3.16607
   29    24 S   S    _SG2    35     1.82991   111.11369   -65.14919
   30    27 S   CT   _CA3    26     1.45286   123.20428   177.19621
   31    30 S   HC   HA31    27     1.09549   107.49855   -64.83652
   32    30 S   HC   HA32    28     1.09556   107.99772    51.60239
   33    29 S   CT   _C7_    36     1.88675   102.25090   168.90110
   34    30 S   CO3  _C3_    29     1.52960   114.08207   173.60576
   35    34 S   O2Z  _O31    30     1.26375   116.06964    -0.81541
   36    34 S   O2Z  _O32    31     1.26428   114.41159   179.24671
   37    33 S   CT   _C8_    37     1.53241   111.32901    50.71394
   38    37 S   HC   _H9_    38     1.09554   110.90016   -67.02054
   39    37 S   HC   _H10    39     1.09449   111.60407   173.89369
   40    33 S   CT   _C10    55     1.56232   106.99068   -73.23518
   41    40 S   HC   _H3_    56     1.09500   111.87690    56.61622
   42    37 S   CO4  _C9_    40     1.50447   112.22726    54.72505
   43    42 S   O    _O33    41     1.22662   122.34076  -144.35504
   44    40 S   CA   _C11    57     1.48862   118.41704  -176.79435
   45    40 S   OS   _O36    69     1.46269   109.33475   -61.61402
   46    42 S   OS   _O34    42     1.35393   115.47523    35.68504
   47    44 S   CA   _C12    58     1.38510   130.48374   -66.56135
   48    47 S   HA   _H11    59     1.08469   121.53796     0.37430
   49    46 S   CT   _C5_    43     1.45039   122.26863    16.88689
   50    47 S   CA   _C13    60     1.39938   118.74814  -178.92225
   51    50 S   HA   _H12    61     1.08706   119.69627  -179.55545
   52    33 S   CT   _C6_    44     1.54604   105.92711   167.17740
   53    52 S   HC   _H7_    45     1.09906   110.70331    44.22877
   54    52 S   HC   _H8_    46     1.09785   109.34034   157.48639
   55    49 S   CT   _C4_    47     1.53677   107.29703    83.55886
   56    55 S   HC   _H4_    48     1.09617   110.83796    53.24453
   57    55 S   HC   _H5_    49     1.09507   111.28275   -64.81777
   58    55 S   HC   _H6_    50     1.09513   111.60097   174.18146
   59    49 S   CT   _C18    51     1.53441   105.73942  -160.78797
   60    59 S   HC   _H15    52     1.09624   110.97018   -56.10996
   61    59 S   HC   _H16    53     1.09502   111.71703  -177.25491
   62    59 S   HC   _H17    54     1.09595   110.75049    61.65767
   63    50 S   CA   _C14    62     1.40353   120.73700     0.95100
   64    63 S   HA   _H13    63     1.08667   119.71754   179.75371
   65    63 S   CA   _C15    64     1.39364   120.33889     0.60652
   66    65 S   HA   _H14    65     1.08433   120.88866   178.68597
   67    44 S   CA   _C16    66     1.38233   109.88737   116.63019
   68    67 S   CO4  _C17    67     1.45165   109.20862     0.95859
   69    68 S   O    _O35    68     1.21429   126.92547  -179.22317
  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
  19   2   1   1  13   6   5  15   6   6   2  12   6  12   8   4
  11   6   3  10   3   2   7   3   2   1   3   2   1   1   5   3
   4   2   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    42    49    52    53    54    40    41    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    46    49    52    53    54    55    59    40    41    44    47    67    68    45  
   35    36  
   36  
    0  
   38    39    42    43    46    49    52    53    54    40    41    44    45  
   39    42    43    46    52    40  
   42    43    46    52    40  
   41    44    47    48    50    65    67    68    69    45    42    49    52    53    54  
   44    47    67    68    45    52  
   43    46    49    52    55    59  
   46    49  
   47    48    50    51    63    65    66    67    68    69    45    52  
   47    52    65    67    68    69  
   49    52    53    54    55    56    57    58    59    60    61    62  
   48    50    51    63    64    65    67    68  
   50    51    63    67  
   52    53    54    55    56    57    58    59    60    61    62  
   51    63    64    65    66    67  
   63    64    65  
   53    54    55    56    57    58    59    60    61    62  
   54    55    59  
   55    59  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67    68    69  
   67    68  
   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   0.167500   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   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    42   317.000  1.522
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    49   320.000  1.410
   49    52   268.000  1.529
   49    55   268.000  1.529
   49    59   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    45   320.000  1.410
   44    47   469.000  1.400
   44    67   469.000  1.400
   47    48   367.000  1.080
   47    50   469.000  1.400
   50    51   367.000  1.080
   50    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   367.000  1.080
   65    67   469.000  1.400
   67    68   310.000  1.470
   68    69   570.000  1.229
   68    45   214.000  1.327
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    42    63.00000  111.10000
   33    52    49    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    54    37.50000  110.70000
   33    40    41    37.50000  110.70000
   33    40    44    70.00000  112.17500
   33    40    45    50.00000  109.50000
   37    42    43    80.00000  120.40000
   37    42    46    81.00000  111.40000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    46    49    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    49    52    50.00000  109.50000
   46    49    55    50.00000  109.50000
   46    49    59    50.00000  109.50000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    37.50000  110.70000
   52    33    37    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    49    52    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    49    52    58.35000  112.70000
   59    49    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    52    58.35000  112.70000
   40    44    47    70.00000  120.00000
   40    44    67    70.00000  120.00000
   40    45    68    83.00000  116.90000
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    50    63.00000  120.00000
   44    67    65    63.00000  120.00000
   44    67    68    60.00000  119.52600
   47    50    51    35.00000  120.00000
   47    50    63    63.00000  120.00000
   50    47    48    35.00000  120.00000
   50    63    64    35.00000  120.00000
   50    63    65    63.00000  120.00000
   63    50    51    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    63.00000  120.00000
   65    63    64    35.00000  120.00000
   65    67    68    60.00000  119.52600
   67    44    47    63.00000  120.00000
   67    65    66    35.00000  120.00000
   67    68    69    75.00000  123.78400
   67    68    45    81.00000  111.40000
   45    40    41    35.00000  109.50000
   45    40    44    85.00000  111.85700
   45    68    69    83.00000  123.40000
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    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  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    42    43   0.30150 -1.0 2.0
   33    37    42    46   0.36750  1.0 3.0
   33    40    44    47   0.04150 -1.0 2.0
   33    40    44    67   0.04150 -1.0 2.0
   33    40    45    68  -0.25900  1.0 1.0
   33    40    45    68  -0.47000 -1.0 2.0
   33    40    45    68   0.11750  1.0 3.0
   37    33    52    49   0.56750  1.0 1.0
   37    33    52    49  -0.07550 -1.0 2.0
   37    33    52    49   0.20000  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    44  -0.03700  1.0 1.0
   37    33    40    44   0.37200 -1.0 2.0
   37    33    40    44  -0.47300  1.0 3.0
   37    33    40    45   0.62750  1.0 1.0
   37    33    40    45  -0.30950 -1.0 2.0
   37    33    40    45   0.27300  1.0 3.0
   37    42   -46    49   1.63150  1.0 1.0
   37    42   -46    49   2.92000 -1.0 2.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    46   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    46   0.00000  1.0 1.0
   42    46    49    52  -0.25900  1.0 1.0
   42    46    49    52  -0.47000 -1.0 2.0
   42    46    49    52   0.11750  1.0 3.0
   42    46    49    55  -0.25900  1.0 1.0
   42    46    49    55  -0.47000 -1.0 2.0
   42    46    49    55   0.11750  1.0 3.0
   42    46    49    59  -0.25900  1.0 1.0
   42    46    49    59  -0.47000 -1.0 2.0
   42    46    49    59   0.11750  1.0 3.0
   43    42    46    49   3.00000 -1.0 2.0
   46    49   -52    33   0.62750  1.0 1.0
   46    49   -52    33  -0.30950 -1.0 2.0
   46    49   -52    33   0.27300  1.0 3.0
   46    49    52    53   0.23400  1.0 3.0
   46    49    52    54   0.23400  1.0 3.0
   46    49    55    56   0.23400  1.0 3.0
   46    49    55    57   0.23400  1.0 3.0
   46    49    55    58   0.23400  1.0 3.0
   46    49    59    60   0.23400  1.0 3.0
   46    49    59    61   0.23400  1.0 3.0
   46    49    59    62   0.23400  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    42  -0.95700  1.0 1.0
   52    33   -37    42  -0.18200 -1.0 2.0
   52    33   -37    42   0.29450  1.0 3.0
   52    33    40    41   0.15000  1.0 3.0
   52    33    40    44  -0.03700  1.0 1.0
   52    33    40    44   0.37200 -1.0 2.0
   52    33    40    44  -0.47300  1.0 3.0
   52    33    40    45   0.62750  1.0 1.0
   52    33    40    45  -0.30950 -1.0 2.0
   52    33    40    45   0.27300  1.0 3.0
   52    49    55    56   0.15000  1.0 3.0
   52    49    55    57   0.15000  1.0 3.0
   52    49    55    58   0.15000  1.0 3.0
   52    49    59    60   0.15000  1.0 3.0
   52    49    59    61   0.15000  1.0 3.0
   52    49    59    62   0.15000  1.0 3.0
   55    49    52    33   0.56750  1.0 1.0
   55    49    52    33  -0.07550 -1.0 2.0
   55    49    52    33   0.20000  1.0 3.0
   55    49    52    53   0.15000  1.0 3.0
   55    49    52    54   0.15000  1.0 3.0
   55    49    59    60   0.15000  1.0 3.0
   55    49    59    61   0.15000  1.0 3.0
   55    49    59    62   0.15000  1.0 3.0
   59    49    52    33   0.56750  1.0 1.0
   59    49    52    33  -0.07550 -1.0 2.0
   59    49    52    33   0.20000  1.0 3.0
   59    49    52    53   0.15000  1.0 3.0
   59    49    52    54   0.15000  1.0 3.0
   59    49    55    56   0.15000  1.0 3.0
   59    49    55    57   0.15000  1.0 3.0
   59    49    55    58   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    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    52    49   0.56750  1.0 1.0
   40    33    52    49  -0.07550 -1.0 2.0
   40    33    52    49   0.20000  1.0 3.0
   40    33    52    53   0.15000  1.0 3.0
   40    33    52    54   0.15000  1.0 3.0
   40    44    47    48   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   40    44    67    65   3.62500 -1.0 2.0
   40    44   -67    68   3.62500 -1.0 2.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    44    67   0.00000  1.0 1.0
   41    40    45    68   0.08050  1.0 3.0
   44    40   -45    68  -0.43900 -1.0 2.0
   44    40   -45    68   0.14100  1.0 3.0
   44    47    50    51   3.62500 -1.0 2.0
   44    47    50    63   3.62500 -1.0 2.0
   44    67    68    69   1.05000 -1.0 2.0
   44    67   -68    45   0.98750 -1.0 2.0
   47    44    67    65   3.62500 -1.0 2.0
   47    44    67    68   3.62500 -1.0 2.0
   47    50    63    64   3.62500 -1.0 2.0
   47    50   -63    65   3.62500 -1.0 2.0
   48    47    50    51   3.62500 -1.0 2.0
   48    47    50    63   3.62500 -1.0 2.0
   50    63    65    66   3.62500 -1.0 2.0
   50    63    65    67   3.62500 -1.0 2.0
   51    50    63    64   3.62500 -1.0 2.0
   51    50    63    65   3.62500 -1.0 2.0
   63    65   -67    44   3.62500 -1.0 2.0
   63    65    67    68   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    67   3.62500 -1.0 2.0
   65    67    68    69   1.05000 -1.0 2.0
   65    67    68    45   0.98750 -1.0 2.0
   66    65    67    44   3.62500 -1.0 2.0
   66    65    67    68   3.62500 -1.0 2.0
   67    44    47    48   3.62500 -1.0 2.0
   67    44   -47    50   3.62500 -1.0 2.0
   67    68   -45    40   0.59950  1.0 1.0
   67    68   -45    40   3.24850 -1.0 2.0
   69    68    45    40   3.00000 -1.0 2.0
   45    40    44    47   0.64500  1.0 1.0
   45    40    44    47   0.14800 -1.0 2.0
   45    40    44    47   0.20650  1.0 3.0
   45    40   -44    67   0.64500  1.0 1.0
   45    40   -44    67   0.14800 -1.0 2.0
   45    40   -44    67   0.20650  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
   37    46    42    43  10.50000 -1.0 2.0
   47    67    44    40   4.00000 -1.0 2.0
   50    48    47    44   1.10000 -1.0 2.0
   63    51    50    47   1.10000 -1.0 2.0
   65    64    63    50   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   65    68    67    44   4.00000 -1.0 2.0
   67    45    68    69  10.50000 -1.0 2.0
END
