* LIGAND DATABASE FILE (OPLS2005)
*
001      62    63    119    186     343
    1     0 S   NP   _N1_     1    28.91516    94.41068   -20.49725
    2     1 S   H    _HN1     2     1.02836    31.80753   145.63457
    3     1 S   H    _H1_     3     1.02777    85.00230   -77.78095
    4     1 S   H    _H2_     4     1.02962    94.58274    30.26034
    5     1 S   CT   _CA1     5     1.50144   141.74617   162.01775
    6     5 S   HC   _HA1     6     1.09572   105.23148    50.03731
    7     5 S   CO3  _C1_     7     1.53832   112.29850   -70.15543
    8     7 S   O2Z  _O11     8     1.26359   115.00999   -43.85052
    9     7 S   O2Z  _O12     9     1.26233   114.91283   135.16258
   10     5 S   CT   _CB1    10     1.53077   107.39683   167.94386
   11    10 S   HC   HB11    11     1.09820   109.39326   -49.99067
   12    10 S   HC   HB12    12     1.09817   110.37164    66.53419
   13    10 S   CT   _CG1    13     1.53016   112.70770  -171.10746
   14    13 S   HC   HG11    14     1.09553   110.38987   -60.63531
   15    13 S   HC   HG12    15     1.09632   110.13471    58.44324
   16    13 S   C    _CD1    16     1.51848   112.10490   178.47274
   17    16 S   O    _OE1    17     1.22743   123.11905   -13.04158
   18    16 S   N    _N2_    18     1.38564   111.76812   167.90263
   19    18 S   H    _HN2    19     1.01592   119.06688     0.09691
   20    18 S   CT1  _CA2    20     1.46278   123.49541  -179.08251
   21    20 S   HC   _HA2    21     1.09733   109.35480   -12.56115
   22    20 S   C    _C2_    22     1.53446   108.47374  -128.19793
   23    22 S   O    _O2_    23     1.23021   122.25811  -147.64134
   24    20 S   CT   _CB2    32     1.53395   111.22360   109.54851
   25    24 S   HC   HB21    33     1.09483   109.57715    54.49567
   26    24 S   HC   HB22    34     1.09505   110.76790   173.06093
   27    22 S   N    _N3_    24     1.38523   113.41264    39.93510
   28    27 S   H    _HN3    25     1.01522   118.87184    -0.80113
   29    24 S   S    _SG2    35     1.82888   111.51707   -67.72893
   30    27 S   CT   _CA3    26     1.45439   123.46985   175.06370
   31    30 S   HC   HA31    27     1.09523   109.25493    24.18952
   32    30 S   HC   HA32    28     1.09497   107.12220   141.19162
   33    29 S   CT   _C6_    36     1.85536    99.80112   157.03724
   34    33 S   HC   _H3_    37     1.10154   102.44897    43.44219
   35    30 S   CO3  _C3_    29     1.52917   113.08693   -99.30152
   36    35 S   O2Z  _O31    30     1.26406   115.39340   -44.93119
   37    35 S   O2Z  _O32    31     1.26353   114.99293   136.00868
   38    33 S   CT   _C7_    38     1.58372   110.99285   -73.33810
   39    38 S   OM   _O34    39     1.32822   105.76086   137.69394
   40    38 S   HC   _H4_    40     1.09831   108.24561    10.93178
   41    38 S   C3T  _C8_    41     1.53184   115.06023  -105.33536
   42    41 S   HC   _H5_    42     1.09156   111.65712  -141.77560
   43    41 S   C3T  _C9_    43     1.50732   121.61817     2.00643
   44    43 S   HC   _H6_    44     1.08695   116.09996  -137.98102
   45    43 S   CO4  _C10    45     1.47845   118.61658     1.23733
   46    45 S   O    _O33    46     1.22489   120.06402   151.08356
   47    41 S   C3T  _C11    54     1.53285   125.03713    75.33491
   48    33 S   CT   _C5_    47     1.55556   112.73462   156.69148
   49    47 S   CT   _C12    55     1.50494   121.49911    -0.05935
   50    49 S   HC   _H10    56     1.09597   110.63444   172.89425
   51    49 S   HC   _H11    57     1.09334   110.40914    54.24764
   52    49 S   HC   _H12    58     1.08970   113.24974   -68.61180
   53    47 S   CT   _C13    59     1.51306   115.99523   142.94877
   54    53 S   HC   _H13    60     1.09511   110.21573   -87.68615
   55    53 S   HC   _H14    61     1.09510   110.34337   152.54042
   56    53 S   HC   _H15    62     1.09544   112.20558    32.53800
   57    48 S   CT   _C4_    48     1.53213   114.12364   -49.36732
   58    57 S   HC   _H7_    49     1.09594   110.76610   -53.14564
   59    57 S   HC   _H8_    50     1.09717   110.60984  -170.72621
   60    57 S   HC   _H9_    51     1.09422   112.94876    69.18028
   61    48 S   OH   _O35    52     1.43487   109.57016  -166.91696
   62    61 S   HO   _H16    53     0.97434   108.20980   -36.73450
  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  15   6  15   6  11   4   9   6
   7   3   2   1   3   2   1   1   5   3   2   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    48    57    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    48    57    58    59    60    61    62    47  
   38    39    40    41    45    48    57    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    57    61    47    49    53  
   40    41    42    43    48    47  
   41    42    43    48    47  
   42    43    44    45    46    48    47    49    50    51    52    53    54    55    56  
   43    44    45    47    49    53  
   44    45    46    48    57    61    47    49    50    51    52    53    54    55    56  
   45    46    48    47    49    53  
   46    48    57    58    59    60    61    62    47    49    53  
   48    57    61    47  
   49    50    51    52    53    54    55    56    48  
   57    58    59    60    61    62  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60    61  
   60    61  
   61  
   62  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   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    48   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   340.000  1.088
   41    43   260.000  1.509
   41    47   260.000  1.509
   43    44   340.000  1.088
   43    45   290.000  1.496
   43    47   260.000  1.509
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    57   268.000  1.529
   48    61   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   47    49   275.000  1.510
   47    53   275.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    48    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    48    45    63.00000  111.10000
   33    48    57    58.35000  112.70000
   33    48    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    40.00000  115.04500
   38    41    43    60.00000  120.94000
   38    41    47    60.00000  120.94000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    43    44    37.50000  117.20000
   41    43    45    65.00000  117.18000
   41    43    47    10.00000   60.00500
   41    47    43    10.00000   60.00500
   41    47    49    60.00000  120.94000
   41    47    53    60.00000  120.94000
   43    41    42    37.50000  117.20000
   43    45    46    75.00000  121.36600
   43    45    48    65.00000  117.32000
   43    47    49    60.00000  120.94000
   43    47    53    60.00000  120.94000
   45    43    44    40.00000  116.18000
   45    48    57    63.00000  111.10000
   45    48    61    90.00000  109.61100
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    45    46    80.00000  120.40000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   48    61    62    55.00000  108.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    48    57    50.00000  109.50000
   47    41    42    37.50000  117.20000
   47    41    43    10.00000   60.00500
   47    43    44    37.50000  117.20000
   47    43    45    65.00000  117.18000
   47    49    50    45.00000  109.38400
   47    49    51    45.00000  109.38400
   47    49    52    45.00000  109.38400
   47    53    54    45.00000  109.38400
   47    53    55    45.00000  109.38400
   47    53    56    45.00000  109.38400
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    47    49    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
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    57   0.44750  1.0 1.0
   29    33    48    57  -0.17800 -1.0 2.0
   29    33    48    57   0.20200  1.0 3.0
   29    33    48    61   0.56750  1.0 1.0
   29    33    48    61  -0.07550 -1.0 2.0
   29    33    48    61   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.07850  1.0 1.0
   33    38    41    43  -0.03950 -1.0 2.0
   33    38    41    43   0.67350  1.0 3.0
   33    38    41    47   0.07850  1.0 1.0
   33    38    41    47  -0.03950 -1.0 2.0
   33    38    41    47   0.67350  1.0 3.0
   33    48    57    58   0.15000  1.0 3.0
   33    48    57    59   0.15000  1.0 3.0
   33    48    57    60   0.15000  1.0 3.0
   33    48    61    62  -0.11600  1.0 1.0
   33    48    61    62  -0.09450 -1.0 2.0
   33    48    61    62   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    48    45  -0.11250  1.0 3.0
   34    33    48    57   0.15000  1.0 3.0
   34    33    48    61   0.23400  1.0 3.0
   38    33    48    45  -0.95700  1.0 1.0
   38    33    48    45  -0.18200 -1.0 2.0
   38    33    48    45   0.29450  1.0 3.0
   38    33    48    57   0.56750  1.0 1.0
   38    33    48    57  -0.07550 -1.0 2.0
   38    33    48    57   0.20000  1.0 3.0
   38    33    48    61   0.86500  1.0 1.0
   38    33    48    61  -0.17500 -1.0 2.0
   38    33    48    61   0.20800  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41   -43    45  -0.95700  1.0 1.0
   38    41   -43    45  -0.18200 -1.0 2.0
   38    41   -43    45   0.29450  1.0 3.0
   38    41   -43    47   0.07850  1.0 1.0
   38    41   -43    47  -0.03950 -1.0 2.0
   38    41   -43    47   0.67350  1.0 3.0
   38    41   -47    43   0.07850  1.0 1.0
   38    41   -47    43  -0.03950 -1.0 2.0
   38    41   -47    43   0.67350  1.0 3.0
   38    41    47    49   0.56750  1.0 1.0
   38    41    47    49  -0.07550 -1.0 2.0
   38    41    47    49   0.20000  1.0 3.0
   38    41    47    53   0.56750  1.0 1.0
   38    41    47    53  -0.07550 -1.0 2.0
   38    41    47    53   0.20000  1.0 3.0
   39    38    41    42   0.23400  1.0 3.0
   39    38    41    43  -0.26800  1.0 1.0
   39    38    41    43   0.69150 -1.0 2.0
   39    38    41    43  -0.48750  1.0 3.0
   39    38    41    47  -0.26800  1.0 1.0
   39    38    41    47   0.69150 -1.0 2.0
   39    38    41    47  -0.48750  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    47   0.15000  1.0 3.0
   41    43    45    46   0.30150 -1.0 2.0
   41    43    45    48   0.60050  1.0 1.0
   41    43    45    48   0.05600 -1.0 2.0
   41    43    45    48   0.26150  1.0 3.0
   41    43   -47    49   0.07850  1.0 1.0
   41    43   -47    49  -0.03950 -1.0 2.0
   41    43   -47    49   0.67350  1.0 3.0
   41    43   -47    53   0.07850  1.0 1.0
   41    43   -47    53  -0.03950 -1.0 2.0
   41    43   -47    53   0.67350  1.0 3.0
   41    47    49    50   0.15000  1.0 3.0
   41    47    49    51   0.15000  1.0 3.0
   41    47    49    52   0.15000  1.0 3.0
   41    47    53    54   0.15000  1.0 3.0
   41    47    53    55   0.15000  1.0 3.0
   41    47    53    56   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41   -43    47   0.15000  1.0 3.0
   42    41   -47    43   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    53   0.15000  1.0 3.0
   43    41   -47    49   0.07850  1.0 1.0
   43    41   -47    49  -0.03950 -1.0 2.0
   43    41   -47    49   0.67350  1.0 3.0
   43    41   -47    53   0.07850  1.0 1.0
   43    41   -47    53  -0.03950 -1.0 2.0
   43    41   -47    53   0.67350  1.0 3.0
   43    45   -48    33   0.60050  1.0 1.0
   43    45   -48    33   0.05600 -1.0 2.0
   43    45   -48    33   0.26150  1.0 3.0
   43    45    48    57   0.60050  1.0 1.0
   43    45    48    57   0.05600 -1.0 2.0
   43    45    48    57   0.26150  1.0 3.0
   43    45    48    61   0.55300  1.0 1.0
   43    45    48    61   1.25850 -1.0 2.0
   43    45    48    61  -0.23600  1.0 3.0
   43    47    49    50   0.15000  1.0 3.0
   43    47    49    51   0.15000  1.0 3.0
   43    47    49    52   0.15000  1.0 3.0
   43    47    53    54   0.15000  1.0 3.0
   43    47    53    55   0.15000  1.0 3.0
   43    47    53    56   0.15000  1.0 3.0
   44    43    45    46   0.50000  1.0 3.0
   44    43    45    48   0.00000  1.0 1.0
   44    43   -47    41   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    53   0.15000  1.0 3.0
   45    43   -47    41  -0.95700  1.0 1.0
   45    43   -47    41  -0.18200 -1.0 2.0
   45    43   -47    41   0.29450  1.0 3.0
   45    43    47    49  -0.95700  1.0 1.0
   45    43    47    49  -0.18200 -1.0 2.0
   45    43    47    49   0.29450  1.0 3.0
   45    43    47    53  -0.95700  1.0 1.0
   45    43    47    53  -0.18200 -1.0 2.0
   45    43    47    53   0.29450  1.0 3.0
   45    48    57    58  -0.11250  1.0 3.0
   45    48    57    59  -0.11250  1.0 3.0
   45    48    57    60  -0.11250  1.0 3.0
   45    48    61    62   0.91850  1.0 1.0
   45    48    61    62   0.57950  1.0 3.0
   46    45    48    33   0.30150 -1.0 2.0
   46    45    48    57   0.30150 -1.0 2.0
   46    45    48    61   0.30150 -1.0 2.0
   48    33    38    39   0.62750  1.0 1.0
   48    33    38    39  -0.30950 -1.0 2.0
   48    33    38    39   0.27300  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.47050  1.0 1.0
   48    33   -38    41   0.03900 -1.0 2.0
   48    33   -38    41   0.20100  1.0 3.0
   57    48    61    62  -0.11600  1.0 1.0
   57    48    61    62  -0.09450 -1.0 2.0
   57    48    61    62   0.21250  1.0 3.0
   61    48    57    58   0.23400  1.0 3.0
   61    48    57    59   0.23400  1.0 3.0
   61    48    57    60   0.23400  1.0 3.0
   47    41   -43    44   0.15000  1.0 3.0
   47    41   -43    45  -0.95700  1.0 1.0
   47    41   -43    45  -0.18200 -1.0 2.0
   47    41   -43    45   0.29450  1.0 3.0
   47    43    45    46   0.30150 -1.0 2.0
   47    43    45    48   0.60050  1.0 1.0
   47    43    45    48   0.05600 -1.0 2.0
   47    43    45    48   0.26150  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  1.0 3.0
   53    47    49    50   0.15000  1.0 3.0
   53    47    49    51   0.15000  1.0 3.0
   53    47    49    52   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    48    45    46  10.50000 -1.0 2.0
END
