* LIGAND DATABASE FILE (OPLS2005)
*
001      61    63    111    184     331
    1     0 S   NP   _N1_     1    28.74297    95.76710   -22.92943
    2     1 S   H    _HN1     2     1.02786   101.23695   -92.68916
    3     1 S   H    _H1_     3     1.02950    76.65571    13.74752
    4     1 S   H    _H2_     4     1.02829    35.50497   162.19720
    5     1 S   CT   _CA1     5     1.50109   140.39525   119.73282
    6     5 S   HC   _HA1     6     1.09573   105.20056    84.04288
    7     5 S   CO3  _C1_     7     1.53795   112.46229   -36.19607
    8     7 S   O2Z  _O11     8     1.26372   115.00947   -42.56910
    9     7 S   O2Z  _O12     9     1.26241   114.95085   136.57570
   10     5 S   CT   _CB1    10     1.53081   107.41966  -157.97163
   11    10 S   HC   HB11    11     1.09831   109.38546   -49.74115
   12    10 S   HC   HB12    12     1.09813   110.44268    66.87423
   13    10 S   CT   _CG1    13     1.52978   112.59233  -170.72362
   14    13 S   HC   HG11    14     1.09586   110.61036   -65.27156
   15    13 S   HC   HG12    15     1.09670   109.80498    53.95057
   16    13 S   C    _CD1    16     1.51798   112.26935   174.40711
   17    16 S   O    _OE1    17     1.22726   123.30117     5.78323
   18    16 S   N    _N2_    18     1.38621   111.60248  -174.25441
   19    18 S   H    _HN2    19     1.01581   118.98248     1.80059
   20    18 S   CT1  _CA2    20     1.46276   123.52081   178.15836
   21    20 S   HC   _HA2    21     1.09736   109.34681     3.77336
   22    20 S   C    _C2_    22     1.53603   108.83027  -111.74631
   23    22 S   O    _O2_    23     1.23055   122.30299  -150.18623
   24    20 S   CT   _CB2    32     1.53472   111.26845   125.75502
   25    24 S   HC   HB21    33     1.09414   109.13370    55.71383
   26    24 S   HC   HB22    34     1.09427   109.92210   174.75667
   27    22 S   N    _N3_    24     1.38340   113.79566    37.39784
   28    27 S   H    _HN3    25     1.01565   119.55532    -3.44736
   29    24 S   S    _SG2    35     1.83255   110.77237   -65.55890
   30    27 S   CT   _CA3    26     1.45273   123.21604   177.10193
   31    30 S   HC   HA31    27     1.09549   107.52295   -64.43962
   32    30 S   HC   HA32    28     1.09557   107.97802    52.00272
   33    29 S   CT   _C16    36     1.86859   102.64531   172.22908
   34    30 S   CO3  _C3_    29     1.52954   114.07406   173.99978
   35    34 S   O2Z  _O31    30     1.26376   116.07374    -0.31341
   36    34 S   O2Z  _O32    31     1.26429   114.41122   179.74056
   37    33 S   CA   _C9_    37     1.50010   110.13006   -60.26876
   38    33 S   CM   _C13    49     1.52326   111.49125    50.28779
   39    37 S   CA   _C7_    38     1.38816   129.31663   -66.13962
   40    39 S   HA   _H21    39     1.08473   121.20610    -1.28359
   41    38 S   CM   _C10    50     1.44610   117.54672    74.50635
   42    41 S   HC   _H22    51     1.08510   118.77187  -162.61100
   43    39 S   CA   _C5_    40     1.39473   118.31619   178.18167
   44    43 S   HA   _H19    41     1.08660   119.79276  -179.76097
   45    41 S   CM   _C11    52     1.34204   120.86186    20.14956
   46    45 S   HC   _H23    53     1.08667   118.71536   179.32016
   47    43 S   CA   _C4_    42     1.40234   120.55331     0.10653
   48    47 S   HA   _H18    43     1.08670   119.63020   179.95577
   49    45 S   CT   _C14    54     1.51139   123.96833     2.21426
   50    49 S   HC   _H24    55     1.09669   107.80044   126.44143
   51    47 S   CA   _C6_    44     1.39814   120.72121     0.25488
   52    51 S   HA   _H20    45     1.08549   119.88443   179.37006
   53    33 S   CT   _C15    56     1.55148   109.51829   171.39298
   54    53 S   HC   _H25    57     1.09775   110.03851    52.94493
   55    49 S   OH   _O15    60     1.42632   108.97366  -118.05238
   56    55 S   HO   _H26    61     0.97221   107.95528   -51.43127
   57    37 S   CA   _C8_    46     1.40529   108.99846   112.65670
   58    53 S   OH   _O16    58     1.43724   109.54811   169.20553
   59    58 S   HO   _H27    59     0.97216   107.55798  -174.27217
   60    57 S   CMA  _C12    47     1.49364   111.31435     3.07237
   61    60 S   OM   _O14    48     1.26135   123.92541   176.70776
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  19   2   1   1  16  13   9   4  10   4   6   3   9   4   5   3
   7   5   4   2   7   3   2   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    57    60    38    41    49    53    54    58  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    43    51    57    60    61    38    41    42    45    49    50    53    54    58    59    55  
   35    36  
   36  
    0  
   39    40    43    44    47    51    52    57    60    61    38    41    49    53    54    58  
   41    42    45    46    49    53    54    58    39    51    57    60    61  
   40    43    44    47    48    51    57    60    53  
   43    44    47    57  
   42    45    46    49    50    53    55    57    60    61  
   45    46    49    60  
   44    47    48    51    52    57  
   47    48    51  
   46    49    50    53    54    58    55    56    60  
   49    50    53    55  
   48    51    52    57    60  
   51    52    57  
   50    53    54    58    59    55    56  
   53    54    58    55    56  
   52    57    60    61  
   57    60  
   54    58    59    55    56    57    60  
   58    59    55  
   56    58  
    0  
   60    61  
   59  
    0  
   61  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   40   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   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   317.000  1.510
   33    38   317.000  1.510
   33    53   268.000  1.529
   37    39   469.000  1.400
   37    57   469.000  1.400
   39    40   367.000  1.080
   39    43   469.000  1.400
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    52   367.000  1.080
   51    57   469.000  1.400
   57    60   320.000  1.460
   60    61   745.000  1.250
   60    38   465.000  1.376
   38    41   380.000  1.444
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    49   317.000  1.510
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   320.000  1.410
   53    54   340.000  1.090
   53    58   320.000  1.410
   58    59   553.000  0.945
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    37    39    70.00000  120.00000
   33    37    57    70.00000  120.00000
   33    38    60    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    53    49    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    58    50.00000  109.50000
   37    39    40    35.00000  120.00000
   37    39    43    63.00000  120.00000
   37    57    51    63.00000  120.00000
   37    57    60    60.00000  120.93500
   39    43    44    35.00000  120.00000
   39    43    47    63.00000  120.00000
   43    39    40    35.00000  120.00000
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    52    35.00000  120.00000
   47    51    57    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    57    60    60.00000  120.93500
   57    37    39    63.00000  120.00000
   57    51    52    35.00000  120.00000
   57    60    61    85.00000  114.86500
   57    60    38    60.00000  123.20500
   60    38    41    70.00000  117.34000
   38    33    37    70.00000  112.99600
   38    60    61    65.00000  137.10300
   38    41    42    35.00000  120.00000
   38    41    45    70.00000  123.01800
   41    45    46    35.00000  120.00000
   41    45    49    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    49    50    35.00000  109.50000
   45    49    53    70.00000  112.02700
   45    49    55    90.00000  110.39200
   49    45    46    35.00000  117.00000
   49    53    54    37.50000  110.70000
   49    53    58    50.00000  109.50000
   49    55    56    55.00000  108.50000
   53    33    37    70.00000  112.17500
   53    33    38    70.00000  112.02700
   53    49    50    37.50000  110.70000
   53    58    59    55.00000  108.50000
   58    53    54    35.00000  109.50000
   55    49    50    35.00000  109.50000
   55    49    53    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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    39  -0.16000  1.0 1.0
   29    33    37    39  -0.03200 -1.0 2.0
   29    33    37    39   0.04500  1.0 3.0
   29    33    37    57  -0.16000  1.0 1.0
   29    33    37    57  -0.03200 -1.0 2.0
   29    33    37    57   0.04500  1.0 3.0
   29    33    38    60   0.42700  1.0 1.0
   29    33    38    60  -0.70350 -1.0 2.0
   29    33    38    60  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    53    49   0.44750  1.0 1.0
   29    33    53    49  -0.17800 -1.0 2.0
   29    33    53    49   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   33    37    39    40   3.62500 -1.0 2.0
   33    37    39    43   3.62500 -1.0 2.0
   33    37    57    51   3.62500 -1.0 2.0
   33    37   -57    60   3.62500 -1.0 2.0
   33    38    41    42   0.00000  1.0 1.0
   33    38    41    45  -0.18600  1.0 3.0
   33    53    58    59  -0.11600  1.0 1.0
   33    53    58    59  -0.09450 -1.0 2.0
   33    53    58    59   0.21250  1.0 3.0
   37    33   -38    60   1.44450  1.0 1.0
   37    33   -38    60   0.06600 -1.0 2.0
   37    33   -38    60   0.29250  1.0 3.0
   37    33    38    41   1.44450  1.0 1.0
   37    33    38    41   0.06600 -1.0 2.0
   37    33    38    41   0.29250  1.0 3.0
   37    33    53    49  -0.03700  1.0 1.0
   37    33    53    49   0.37200 -1.0 2.0
   37    33    53    49  -0.47300  1.0 3.0
   37    33    53    54   0.43200  1.0 3.0
   37    33    53    58   1.13150  1.0 1.0
   37    33    53    58  -1.01400 -1.0 2.0
   37    39    43    44   3.62500 -1.0 2.0
   37    39    43    47   3.62500 -1.0 2.0
   37    57    60    61  -0.01750  1.0 1.0
   37    57    60    61  -0.32000 -1.0 2.0
   37    57    60    61   0.00600  1.0 3.0
   37    57   -60    38   0.15800  1.0 1.0
   37    57   -60    38   1.85350 -1.0 2.0
   37    57   -60    38  -0.48700  1.0 3.0
   39    37    57    51   3.62500 -1.0 2.0
   39    37    57    60   3.62500 -1.0 2.0
   39    43    47    48   3.62500 -1.0 2.0
   39    43   -47    51   3.62500 -1.0 2.0
   40    39    43    44   3.62500 -1.0 2.0
   40    39    43    47   3.62500 -1.0 2.0
   43    47    51    52   3.62500 -1.0 2.0
   43    47    51    57   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51   -57    37   3.62500 -1.0 2.0
   47    51    57    60   3.62500 -1.0 2.0
   48    47    51    52   3.62500 -1.0 2.0
   48    47    51    57   3.62500 -1.0 2.0
   51    57    60    61  -0.01750  1.0 1.0
   51    57    60    61  -0.32000 -1.0 2.0
   51    57    60    61   0.00600  1.0 3.0
   51    57    60    38   0.15800  1.0 1.0
   51    57    60    38   1.85350 -1.0 2.0
   51    57    60    38  -0.48700  1.0 3.0
   52    51    57    37   3.62500 -1.0 2.0
   52    51    57    60   3.62500 -1.0 2.0
   57    37    39    40   3.62500 -1.0 2.0
   57    37   -39    43   3.62500 -1.0 2.0
   57    60   -38    33   7.00000 -1.0 2.0
   57    60    38    41   7.00000 -1.0 2.0
   60    38    41    42  -0.18600  1.0 3.0
   60    38    41    45   0.28850  1.0 1.0
   60    38    41    45   2.61350 -1.0 2.0
   60    38    41    45   0.78400  1.0 3.0
   61    60    38    33   7.00000 -1.0 2.0
   61    60    38    41   7.00000 -1.0 2.0
   38    33    37    39   0.18050 -1.0 2.0
   38    33   -37    57   0.18050 -1.0 2.0
   38    33    53    49   0.34400  1.0 1.0
   38    33    53    49   0.09450 -1.0 2.0
   38    33    53    49   0.11100  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    58   1.05650  1.0 1.0
   38    33    53    58   0.15600 -1.0 2.0
   38    33    53    58   0.53150  1.0 3.0
   38    41    45    46   7.00000 -1.0 2.0
   38    41   -45    49   7.00000 -1.0 2.0
   41    45    49    50   0.00000  1.0 1.0
   41    45    49    53   0.09850  1.0 1.0
   41    45    49    53   0.15250 -1.0 2.0
   41    45    49    53  -0.50650  1.0 3.0
   41    45    49    55   0.67800  1.0 1.0
   41    45    49    55   0.47050 -1.0 2.0
   41    45    49    55  -0.62500  1.0 3.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    49   7.00000 -1.0 2.0
   45    49   -53    33   0.34400  1.0 1.0
   45    49   -53    33   0.09450 -1.0 2.0
   45    49   -53    33   0.11100  1.0 3.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    58   1.05650  1.0 1.0
   45    49    53    58   0.15600 -1.0 2.0
   45    49    53    58   0.53150  1.0 3.0
   45    49    55    56  -0.07800  1.0 1.0
   45    49    55    56  -0.21500 -1.0 2.0
   45    49    55    56  -0.03150  1.0 3.0
   46    45    49    50   0.33100  1.0 3.0
   46    45    49    53   0.00000  1.0 1.0
   46    45    49    55   0.00000  1.0 1.0
   49    53    58    59  -0.11600  1.0 1.0
   49    53    58    59  -0.09450 -1.0 2.0
   49    53    58    59   0.21250  1.0 3.0
   50    49    53    33   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    58   0.23400  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   53    33    37    39   0.04150 -1.0 2.0
   53    33    37    57   0.04150 -1.0 2.0
   53    33    38    60   0.09850  1.0 1.0
   53    33    38    60   0.15250 -1.0 2.0
   53    33    38    60  -0.50650  1.0 3.0
   53    33   -38    41   0.98200  1.0 1.0
   53    33   -38    41  -0.11900 -1.0 2.0
   53    33   -38    41   0.24250  1.0 3.0
   53    49    55    56  -0.11600  1.0 1.0
   53    49    55    56  -0.09450 -1.0 2.0
   53    49    55    56   0.21250  1.0 3.0
   54    53    58    59   0.19450  1.0 3.0
   55    49    53    33   0.86500  1.0 1.0
   55    49    53    33  -0.17500 -1.0 2.0
   55    49    53    33   0.20800  1.0 3.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    58   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   39    57    37    33   4.00000 -1.0 2.0
   43    40    39    37   1.10000 -1.0 2.0
   47    44    43    39   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   57    52    51    47   1.10000 -1.0 2.0
   51    60    57    37   4.00000 -1.0 2.0
   57    61    60    38   1.10000 -1.0 2.0
   33    41    38    60   1.10000 -1.0 2.0
   38    42    41    45   1.10000 -1.0 2.0
   49    46    45    41   1.10000 -1.0 2.0
END
