* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    191     354
    1     0 S   NP   _N1_     1    28.62573    96.36576   -22.98651
    2     1 S   H    _HN1     2     1.02952    73.00753    14.70611
    3     1 S   H    _H1_     3     1.02828    38.79395   165.18381
    4     1 S   H    _H2_     4     1.02786   101.97301   -91.07543
    5     1 S   CT   _CA1     5     1.50112   141.54237   116.31041
    6     5 S   HC   _HA1     6     1.09574   105.20177    89.52338
    7     5 S   CO3  _C1_     7     1.53793   112.48126   -30.71236
    8     7 S   O2Z  _O11     8     1.26373   115.00712   -42.11176
    9     7 S   O2Z  _O12     9     1.26244   114.95091   137.06146
   10     5 S   CT   _CB1    10     1.53085   107.41959  -152.48704
   11    10 S   HC   HB11    11     1.09833   109.37258   -49.79484
   12    10 S   HC   HB12    12     1.09815   110.44052    66.81636
   13    10 S   CT   _CG1    13     1.52983   112.60463  -170.78599
   14    13 S   HC   HG11    14     1.09584   110.60738   -65.46157
   15    13 S   HC   HG12    15     1.09671   109.80483    53.76620
   16    13 S   C    _CD1    16     1.51796   112.27178   174.21060
   17    16 S   O    _OE1    17     1.22723   123.31038     5.77343
   18    16 S   N    _N2_    18     1.38655   111.63608  -174.27255
   19    18 S   H    _HN2    19     1.01580   118.90275     1.94662
   20    18 S   CT1  _CA2    20     1.46200   123.40458   177.68920
   21    20 S   HC   _HA2    21     1.09737   109.42931     2.50921
   22    20 S   C    _C2_    22     1.53554   108.52790  -113.00465
   23    22 S   O    _O2_    23     1.23058   122.29078  -147.19600
   24    20 S   CT   _CB2    32     1.53443   111.53006   124.61636
   25    24 S   HC   HB21    33     1.09405   109.59171    56.12282
   26    24 S   HC   HB22    34     1.09427   109.65064   174.91855
   27    22 S   N    _N3_    24     1.38327   113.68818    40.18922
   28    27 S   H    _HN3    25     1.01588   119.59353    -3.20436
   29    24 S   S    _SG2    35     1.83081   111.15829   -65.35519
   30    27 S   CT   _CA3    26     1.45291   123.20533   177.17381
   31    30 S   HC   HA31    27     1.09549   107.50346   -64.70522
   32    30 S   HC   HA32    28     1.09557   107.99372    51.73227
   33    29 S   CT   _C18    36     1.86416   101.74703   175.30477
   34    30 S   CO3  _C3_    29     1.52960   114.08312   173.72777
   35    34 S   O2Z  _O31    30     1.26375   116.06549    -0.90157
   36    34 S   O2Z  _O32    31     1.26428   114.41288   179.16187
   37    33 S   CM   _C13    37     1.53151   110.06547    56.22806
   38    33 S   CO4  _C15    54     1.54140   108.31754   174.55450
   39    38 S   O    _O18    55     1.22972   124.75496   -21.07686
   40    37 S   CM   _C11    38     1.34512   124.39027  -117.26715
   41    40 S   HC   _H28    39     1.08213   124.31869     0.83275
   42    37 S   CO4  _C12    50     1.49882   120.23417    63.04726
   43    42 S   O    _O17    51     1.22396   122.92161    -0.76541
   44    38 S   CM   _C10    56     1.48509   117.32758   162.13836
   45    44 S   HC   _H27    57     1.08468   116.95079   159.95561
   46    40 S   OS   _O20    40     1.37267   127.95171  -179.62361
   47    44 S   CM   _C14    58     1.33627   121.67121   -18.99851
   48    46 S   CA   _C8_    41     1.36765   117.78772     0.23070
   49    47 S   CO4  _C16    59     1.48996   120.13198    -6.77813
   50    49 S   O    _O19    60     1.23009   120.65756  -176.93069
   51    47 S   OS   _O22    64     1.38167   120.81046   179.56749
   52    48 S   CA   _C6_    42     1.39480   117.34218   179.74666
   53    52 S   HA   _H26    43     1.08658   120.38290    -0.01978
   54    33 S   CT   _C17    61     1.54295   106.91755   -71.45986
   55    54 S   HC   _H29    62     1.09572   111.60144    70.41154
   56    54 S   HC   _H30    63     1.09896   111.23260   -49.61480
   57    51 S   CT   _C19    65     1.42656   110.63279  -105.28300
   58    57 S   HC   _H31    66     1.09396   107.90343   177.06402
   59    57 S   HC   _H32    67     1.09571   110.94460    58.78192
   60    57 S   HC   _H33    68     1.09465   111.47190   -64.43941
   61    52 S   CA   _C9_    44     1.39275   119.37512   179.98022
   62    61 S   CA   _C5_    45     1.39400   120.86583    -0.00000
   63    62 S   HA   _H25    46     1.08620   120.96101  -179.97202
   64    61 S   OH   _O21    52     1.36627   118.12336   180.00000
   65    64 S   HO   _H34    53     0.97248   108.64332   179.87333
   66    62 S   CA   _C4_    47     1.39573   119.54652     0.00000
   67    66 S   HA   _H24    48     1.08688   119.09390  -179.98022
   68    48 S   CA   _C7_    49     1.39122   122.41816    -0.27906
  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
  17   2   1   1  15  11   4   8   3   9   3   7   3   6  10   8
   6   4   5   8   4   2   1   1   3   2   1   1   7   6   4   2
   1   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    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    42    38    39    44    49    54    55    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    68    42    43    38    39    44    45    47    49    50    54    55    56  
   35    36  
   36  
    0  
   40    41    46    48    66    68    42    43    38    39    44    49    54    55    56  
   39    44    45    47    49    54    55    56    51    40    42  
   44    45    47    54  
   41    46    48    52    68    42    43    54  
   46    48    42  
   43    54    46    48    52    62    66    67    68  
   48    66    68  
   45    47    49    50    54    51    57  
   47    49    51  
   48    52    53    61    66    68  
   49    50    54    55    56    51    57    58    59    60  
   52    53    61    62    66    67    68    64  
   50    54    55    56    51    57  
   54    55    56    51  
   57    58    59    60    54  
   53    61    62    63    66    68    64    65  
   61    62    68    64  
   55    56  
   56  
    0  
   58    59    60  
   59    60  
   60  
    0  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   67    68  
   68  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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  1.522
   33    54   268.000  1.529
   37    40   549.000  1.340
   37    42   320.000  1.462
   40    41   340.000  1.080
   40    46   440.000  1.360
   46    48   450.000  1.364
   48    52   469.000  1.400
   48    68   469.000  1.400
   52    53   367.000  1.080
   52    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    42   310.000  1.470
   42    43   570.000  1.229
   64    65   553.000  0.945
   38    39   570.000  1.229
   38    44   320.000  1.462
   44    45   340.000  1.080
   44    47   549.000  1.340
   47    49   320.000  1.462
   47    51   440.000  1.360
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   51    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    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  112.20000
   29    33    38    75.00000  110.18000
   29    33    54    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  116.34900
   33    38    39    80.00000  120.40000
   33    38    44    65.00000  118.62400
   33    54    49    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   37    40    41    35.00000  120.00000
   37    40    46    80.00000  120.01400
   37    42    68    65.00000  117.02400
   37    42    43    80.00000  123.72100
   40    46    48    90.00000  114.30300
   46    40    41    55.00000  109.52600
   46    48    52    70.00000  120.00000
   46    48    68    70.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    61    63.00000  120.00000
   48    68    66    63.00000  120.00000
   48    68    42    60.00000  119.52600
   52    61    62    63.00000  120.00000
   52    61    64    70.00000  120.00000
   61    52    53    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    42    60.00000  119.52600
   68    48    52    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    42    43    75.00000  123.78400
   42    37    40    65.00000  118.96000
   64    61    62    70.00000  120.00000
   38    33    37    70.00000  109.06800
   38    44    45    40.00000  117.72500
   38    44    47    65.00000  118.96000
   44    38    39    80.00000  123.72100
   44    47    49    65.00000  118.96000
   44    47    51    80.00000  120.01400
   47    44    45    35.00000  120.00000
   47    49    50    80.00000  123.72100
   47    49    54    65.00000  118.62400
   47    51    57    90.00000  111.18400
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    33    37    70.00000  112.02700
   54    33    38    63.00000  111.10000
   54    49    50    80.00000  120.40000
   56    54    55    33.00000  107.80000
   51    47    49    85.00000  116.28000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    44   0.65300  1.0 1.0
   29    33    38    44  -0.03850 -1.0 2.0
   29    33    38    44   0.33900  1.0 3.0
   29    33    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    68   1.50000 -1.0 2.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    38    44    45   0.04550  1.0 1.0
   33    38    44    45   0.83000 -1.0 2.0
   33    38    44    45  -0.04000  1.0 3.0
   33    38    44    47  -0.33500  1.0 1.0
   33    38    44    47   1.06600 -1.0 2.0
   33    38    44    47  -0.14000  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    38    44   0.65300  1.0 1.0
   37    33    38    44  -0.03850 -1.0 2.0
   37    33    38    44   0.33900  1.0 3.0
   37    33    54    49  -0.98800  1.0 1.0
   37    33    54    49   0.48800 -1.0 2.0
   37    33    54    49   0.76800  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    40    46    48   2.00000 -1.0 2.0
   40    37    42    68  -1.65800  1.0 1.0
   40    37    42    68   0.77650 -1.0 2.0
   40    37    42    43   1.00000 -1.0 2.0
   40    46    48    52   0.00000  1.0 1.0
   40    46   -48    68   0.00000  1.0 1.0
   41    40    46    48   0.50000 -1.0 2.0
   46    48    52    53   3.62500 -1.0 2.0
   46    48    52    61   3.62500 -1.0 2.0
   46    48    68    66   3.62500 -1.0 2.0
   46    48    68    42   3.62500 -1.0 2.0
   48    52    61    62   3.62500 -1.0 2.0
   48    52    61    64   3.62500 -1.0 2.0
   48    68   -42    37  -0.11500  1.0 1.0
   48    68   -42    37   1.10450 -1.0 2.0
   48    68   -42    37  -0.48050  1.0 3.0
   48    68    42    43   1.05000 -1.0 2.0
   52    48    68    66   3.62500 -1.0 2.0
   52    48    68    42   3.62500 -1.0 2.0
   52    61    62    63   3.62500 -1.0 2.0
   52    61   -62    66   3.62500 -1.0 2.0
   52    61    64    65   0.84100 -1.0 2.0
   53    52    61    62   3.62500 -1.0 2.0
   53    52    61    64   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66   -68    48   3.62500 -1.0 2.0
   62    66    68    42   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    68    42    37  -0.11500  1.0 1.0
   66    68    42    37   1.10450 -1.0 2.0
   66    68    42    37  -0.48050  1.0 3.0
   66    68    42    43   1.05000 -1.0 2.0
   67    66    68    48   3.62500 -1.0 2.0
   67    66    68    42   3.62500 -1.0 2.0
   68    48    52    53   3.62500 -1.0 2.0
   68    48   -52    61   3.62500 -1.0 2.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37   -40    46   7.00000 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -1.0 2.0
   38    33    37    40  -0.51250  1.0 1.0
   38    33    37    40  -0.88800 -1.0 2.0
   38    33    37    40   0.08850  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    54    49   0.11950  1.0 1.0
   38    33    54    49   0.20300 -1.0 2.0
   38    33    54    49  -0.70800  1.0 3.0
   38    33    54    55  -0.11250  1.0 3.0
   38    33    54    56  -0.11250  1.0 3.0
   38    44   -47    49   7.00000 -1.0 2.0
   38    44    47    51   7.00000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    47   1.00000 -1.0 2.0
   44    47    49    50   1.00000 -1.0 2.0
   44    47    49    54  -0.33500  1.0 1.0
   44    47    49    54   1.06600 -1.0 2.0
   44    47    49    54  -0.14000  1.0 3.0
   44    47    51    57  -2.26850  1.0 1.0
   44    47    51    57   3.39050 -1.0 2.0
   45    44    47    49   7.00000 -1.0 2.0
   45    44    47    51   7.00000 -1.0 2.0
   47    49   -54    33   0.65300  1.0 1.0
   47    49   -54    33  -0.03850 -1.0 2.0
   47    49   -54    33   0.33900  1.0 3.0
   47    49    54    55   0.00000  1.0 1.0
   47    49    54    56   0.00000  1.0 1.0
   47    51    57    58   0.08050  1.0 3.0
   47    51    57    59   0.08050  1.0 3.0
   47    51    57    60   0.08050  1.0 3.0
   49    47    51    57   0.15100 -1.0 2.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   54    33    37    40   0.09850  1.0 1.0
   54    33    37    40   0.15250 -1.0 2.0
   54    33    37    40  -0.50650  1.0 3.0
   54    33    37    42   0.09700  1.0 1.0
   54    33    37    42   0.15600 -1.0 2.0
   54    33    37    42  -0.50800  1.0 3.0
   54    33    38    39   0.30150 -1.0 2.0
   54    33   -38    44   0.65300  1.0 1.0
   54    33   -38    44  -0.03850 -1.0 2.0
   54    33   -38    44   0.33900  1.0 3.0
   51    47    49    50  -0.11900  1.0 1.0
   51    47    49    50   0.76850 -1.0 2.0
   51    47    49    50   0.14100  1.0 3.0
   51    47    49    54   0.32450 -1.0 2.0
   51    47    49    54   0.17400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   52    68    48    46   4.00000 -1.0 2.0
   61    53    52    48   1.10000 -1.0 2.0
   62    64    61    52   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   66    42    68    48   4.00000 -1.0 2.0
   37    68    42    43  10.50000 -1.0 2.0
   33    44    38    39  10.50000 -1.0 2.0
   38    45    44    47   1.10000 -1.0 2.0
   49    51    47    44   1.10000 -1.0 2.0
   47    54    49    50  10.50000 -1.0 2.0
END
