* LIGAND DATABASE FILE (OPLS2005)
*
001      60    59    104    150     306
    1     0 S   NP   _N1_     1    28.73956    94.83944   -20.85749
    2     1 S   H    _HN1     2     1.02781    89.71789   -75.14045
    3     1 S   H    _H1_     3     1.02953    86.72033    33.24197
    4     1 S   H    _H2_     4     1.02829    33.94795   160.96627
    5     1 S   CT   _CA1     5     1.50117   144.57152   154.68518
    6     5 S   HC   _HA1     6     1.09572   105.22300    62.91500
    7     5 S   CO3  _C1_     7     1.53792   112.39702   -57.34376
    8     7 S   O2Z  _O11     8     1.26370   115.00409   -43.53568
    9     7 S   O2Z  _O12     9     1.26235   114.94597   135.60139
   10     5 S   CT   _CB1    10     1.53074   107.41456  -179.11243
   11    10 S   HC   HB11    11     1.09830   109.39101   -49.97626
   12    10 S   HC   HB12    12     1.09819   110.42414    66.60985
   13    10 S   CT   _CG1    13     1.52999   112.62920  -170.99645
   14    13 S   HC   HG11    14     1.09588   110.54608   -64.33318
   15    13 S   HC   HG12    15     1.09662   109.89807    54.91870
   16    13 S   C    _CD1    16     1.51800   112.23121   175.35139
   17    16 S   O    _OE1    17     1.22717   123.16353     3.26105
   18    16 S   N    _N2_    18     1.38579   111.62860  -177.08067
   19    18 S   H    _HN2    19     1.01585   118.96441    -0.27052
   20    18 S   CT1  _CA2    20     1.46343   123.43828   178.80777
   21    20 S   HC   _HA2    21     1.09562   108.96984   -18.86364
   22    20 S   C    _C2_    22     1.53388   107.32044  -134.06134
   23    22 S   O    _O2_    23     1.22982   122.78909  -141.50380
   24    20 S   CT   _CB2    32     1.53431   111.79978   104.06411
   25    24 S   HC   HB21    33     1.09641   109.67445    56.43072
   26    24 S   HC   HB22    34     1.09561   111.28122   174.25185
   27    22 S   N    _N3_    24     1.38527   113.08923    44.82967
   28    27 S   H    _HN3    25     1.01643   119.35963    -1.81294
   29    24 S   S    _SG2    35     1.82790   113.52596   -63.06650
   30    27 S   CT   _CA3    26     1.45264   123.09182   177.34561
   31    30 S   HC   HA31    27     1.09549   107.35226   -68.51655
   32    30 S   HC   HA32    28     1.09561   108.14578    47.89998
   33    29 S   CT   _C7_    36     1.83374    99.41177   -79.85379
   34    33 S   HC   _H3_    37     1.09048   106.45007    37.83492
   35    33 S   HC   _H4_    38     1.09468   107.32311   -78.67737
   36    30 S   CO3  _C3_    29     1.52933   114.22075   170.06609
   37    36 S   O2Z  _O31    30     1.26360   116.13949    -0.10468
   38    36 S   O2Z  _O32    31     1.26454   114.39998  -179.95577
   39    33 S   CT   _C9_    39     1.54537   114.33105   158.07002
   40    39 S   CT   _C5_    40     1.56021   111.40852   173.22156
   41    40 S   HC   _H18    41     1.09843   108.38163   -73.66382
   42    40 S   HC   _H19    42     1.09983   106.84411   171.08903
   43    39 S   CT   _C6_    54     1.54397   113.73382    50.46982
   44    43 S   HC   _H20    55     1.09687   110.25021   175.14570
   45    43 S   HC   _H21    56     1.09546   111.61674   -67.49646
   46    39 S   OH   _O14    59     1.43578   109.36403   -68.14964
   47    46 S   HO   _H26    60     0.97362   108.07041    33.37390
   48    40 S   CT   _C8_    43     1.54578   117.79152    49.69258
   49    43 S   OH   _O34    57     1.41990   111.42232    54.59895
   50    49 S   HO   _H24    58     0.97204   107.06815   179.16913
   51    48 S   CO3  _C4_    44     1.55664   105.86434   166.73933
   52    51 S   O2Z  _O7_    45     1.26672   115.74593    63.71967
   53    51 S   O2Z  _O10    46     1.26663   115.63596  -114.69519
   54    48 S   OH   _O13    47     1.42382   110.09889    48.14998
   55    54 S   HO   _H25    48     0.97422   106.20071   156.17133
   56    48 S   OS   _O15    49     1.42806   108.60220   -77.09152
   57    56 S   P3   _P17    50     1.64775   121.66933   158.78779
   58    57 S   O2Z  _O8_    51     1.52543   104.80541   -75.10244
   59    57 S   O2Z  _O9_    52     1.52595   103.39037   165.76511
   60    57 S   O2Z  _O33    53     1.52446   105.43202    45.74930
  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   7   5   4   3
  13   5   4   2   1   1  14  16   7   6   7   4   3   3   1  10
   1   1   6   3   2   3   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    48    43    44    45    49    46    47  
   35    39    40    43    46  
   39    40    43    46  
   37    38  
   38  
    0  
   40    41    42    48    51    54    56    43    44    45    49    50    46    47  
   41    42    48    51    52    53    54    55    56    57    43    44    45    49    46    47  
   42    48    51    54    56    43    46  
   48    51    54    56    43    46  
   44    45    49    50    46    47    48  
   45    49    50    46  
   49    50    46  
   47    48    49  
    0  
   51    52    53    54    55    56    57    58    59    60  
   50  
    0  
   52    53    54    55    56    57  
   53    54    56  
   54    56  
   55    56    57  
   56  
   57    58    59    60  
   58    59    60  
   59    60  
   60  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.760000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -1.119967   1.6890   1.4900   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    43   268.000  1.529
   39    46   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    48   268.000  1.529
   48    51   317.000  1.522
   48    54   320.000  1.410
   48    56   320.000  1.410
   51    52   656.000  1.250
   51    53   656.000  1.250
   54    55   553.000  0.945
   56    57   230.000  1.630
   57    58   525.000  1.516
   57    59   525.000  1.516
   57    60   525.000  1.516
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    49   320.000  1.410
   49    50   553.000  0.945
   46    47   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    48    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    49    50.00000  109.50000
   39    46    47    55.00000  108.50000
   40    48    51    70.00000  109.69300
   40    48    54    50.00000  109.50000
   40    48    56    50.00000  109.50000
   42    40    41    33.00000  107.80000
   48    40    41    37.50000  110.70000
   48    40    42    37.50000  110.70000
   48    51    52    70.00000  117.00000
   48    51    53    70.00000  117.00000
   48    54    55    55.00000  108.50000
   48    56    57    80.00000  112.68000
   53    51    52    80.00000  126.00000
   54    48    51    95.00000  109.52300
   56    48    51    85.00000  109.63000
   56    48    54   105.00000  114.22000
   56    57    58   100.00000  107.00000
   56    57    59   100.00000  107.00000
   56    57    60   100.00000  107.00000
   59    57    58   140.00000  114.00000
   60    57    58   140.00000  114.00000
   60    57    59   140.00000  114.00000
   43    39    40    58.35000  112.70000
   43    49    50    55.00000  108.50000
   45    43    44    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    45    35.00000  109.50000
   46    39    40    50.00000  109.50000
   46    39    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    48   0.56750  1.0 1.0
   33    39    40    48  -0.07550 -1.0 2.0
   33    39    40    48   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    49   0.86500  1.0 1.0
   33    39    43    49  -0.17500 -1.0 2.0
   33    39    43    49   0.20800  1.0 3.0
   33    39    46    47  -0.11600  1.0 1.0
   33    39    46    47  -0.09450 -1.0 2.0
   33    39    46    47   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   34    33    39    46   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   35    33    39    46   0.23400  1.0 3.0
   39    40    48    51  -1.63150  1.0 1.0
   39    40    48    51  -0.43550 -1.0 2.0
   39    40    48    51   0.24500  1.0 3.0
   39    40    48    54   0.86500  1.0 1.0
   39    40    48    54  -0.17500 -1.0 2.0
   39    40    48    54   0.20800  1.0 3.0
   39    40    48    56   0.62750  1.0 1.0
   39    40    48    56  -0.30950 -1.0 2.0
   39    40    48    56   0.27300  1.0 3.0
   39    43    49    50  -0.11600  1.0 1.0
   39    43    49    50  -0.09450 -1.0 2.0
   39    43    49    50   0.21250  1.0 3.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    49   0.86500  1.0 1.0
   40    39    43    49  -0.17500 -1.0 2.0
   40    39    43    49   0.20800  1.0 3.0
   40    39    46    47  -0.11600  1.0 1.0
   40    39    46    47  -0.09450 -1.0 2.0
   40    39    46    47   0.21250  1.0 3.0
   40    48    51    52   0.41150 -1.0 2.0
   40    48    51    53   0.41150 -1.0 2.0
   40    48    54    55  -0.11600  1.0 1.0
   40    48    54    55  -0.09450 -1.0 2.0
   40    48    54    55   0.21250  1.0 3.0
   40    48    56    57  -2.65550  1.0 1.0
   40    48    56    57  -0.22350 -1.0 2.0
   40    48    56    57   0.24150  1.0 3.0
   41    40    48    51  -0.11250  1.0 3.0
   41    40    48    54   0.23400  1.0 3.0
   41    40    48    56   0.23400  1.0 3.0
   42    40    48    51  -0.11250  1.0 3.0
   42    40    48    54   0.23400  1.0 3.0
   42    40    48    56   0.23400  1.0 3.0
   48    56    57    58   0.00000  1.0 1.0
   48    56    57    59   0.00000  1.0 1.0
   48    56    57    60   0.00000  1.0 1.0
   51    48    54    55   0.91850  1.0 1.0
   51    48    54    55   0.57950  1.0 3.0
   51    48    56    57   0.37500  1.0 3.0
   54    48    51    52   0.30150 -1.0 2.0
   54    48    51    53   0.30150 -1.0 2.0
   54    48    56    57   0.37500  1.0 3.0
   56    48    51    52   0.30150 -1.0 2.0
   56    48    51    53   0.30150 -1.0 2.0
   56    48    54    55  -0.50000  1.0 1.0
   56    48    54    55  -0.73950 -1.0 2.0
   56    48    54    55   0.17150  1.0 3.0
   43    39    40    41   0.15000  1.0 3.0
   43    39    40    42   0.15000  1.0 3.0
   43    39    40    48   0.56750  1.0 1.0
   43    39    40    48  -0.07550 -1.0 2.0
   43    39    40    48   0.20000  1.0 3.0
   43    39    46    47  -0.11600  1.0 1.0
   43    39    46    47  -0.09450 -1.0 2.0
   43    39    46    47   0.21250  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   45    43    49    50   0.19450  1.0 3.0
   46    39    40    41   0.23400  1.0 3.0
   46    39    40    42   0.23400  1.0 3.0
   46    39    40    48   0.86500  1.0 1.0
   46    39    40    48  -0.17500 -1.0 2.0
   46    39    40    48   0.20800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    49   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
   38    30    36    37  10.50000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
END
