* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    133    213     396
    1     0 S   NP   _N1_     1    28.31976    98.37204   -21.65614
    2     1 S   H    _HN1     2     1.02828    43.44162   135.83601
    3     1 S   H    _H1_     3     1.02767   103.33056  -122.09197
    4     1 S   H    _H2_     4     1.02946    67.85133   -17.41302
    5     1 S   CT   _CA1     5     1.50165   142.32573    77.65639
    6     5 S   HC   _HA1     6     1.09564   105.22118    98.15081
    7     5 S   CO3  _C1_     7     1.53877   112.00755   -22.15603
    8     7 S   O2Z  _O11     8     1.26409   114.96620   -47.71520
    9     7 S   O2Z  _O12     9     1.26182   115.01841   130.90718
   10     5 S   CT   _CB1    10     1.53093   107.37773  -143.76904
   11    10 S   HC   HB11    11     1.09830   109.75926   -47.00192
   12    10 S   HC   HB12    12     1.09802   110.36361    69.71267
   13    10 S   CT   _CG1    13     1.52976   112.41398  -167.77834
   14    13 S   HC   HG11    14     1.09570   110.59278   -60.53956
   15    13 S   HC   HG12    15     1.09635   109.70960    58.60252
   16    13 S   C    _CD1    16     1.51859   112.17355   179.34359
   17    16 S   O    _OE1    17     1.22790   123.21522     8.22220
   18    16 S   N    _N2_    18     1.38490   111.88454  -172.73037
   19    18 S   H    _HN2    19     1.01796   118.79583     6.42944
   20    18 S   CT1  _CA2    20     1.45887   122.89210  -179.18147
   21    20 S   HC   _HA2    21     1.09738   108.87059    24.67630
   22    20 S   C    _C2_    22     1.52938   107.38525   -92.31434
   23    22 S   O    _O2_    23     1.22949   123.21688   -24.64870
   24    20 S   CT   _CB2    32     1.53228   111.92131   147.65508
   25    24 S   HC   HB21    33     1.09255   109.29717    55.57743
   26    24 S   HC   HB22    34     1.09527   110.66009   173.27880
   27    22 S   N    _N3_    24     1.38540   112.45648   157.97896
   28    27 S   H    _HN3    25     1.01653   120.32887    -2.36488
   29    24 S   S    _SG2    35     1.82904   110.99365   -67.73776
   30    27 S   CT   _CA3    26     1.45346   122.51060   178.52913
   31    30 S   HC   HA31    27     1.09568   107.88046   -54.17292
   32    30 S   HC   HA32    28     1.09560   107.55927    62.18152
   33    29 S   CT   _C16    36     1.88194   101.91308   141.41116
   34    30 S   CO3  _C3_    29     1.52889   114.29302  -176.12728
   35    34 S   O2Z  _O31    30     1.26341   116.06036    -0.29739
   36    34 S   O2Z  _O32    31     1.26435   114.41384   179.65736
   37    33 S   CM   _C11    37     1.54495   106.75498   175.50717
   38    37 S   CMA  _C10    38     1.37552   122.26537   -88.32936
   39    38 S   OM   _O17    39     1.26754   127.13458  -173.09277
   40    37 S   CO   _C17    54     1.55308   113.42936    96.30767
   41    38 S   CA   _C7_    40     1.53075   115.12131     6.15721
   42    40 S   OS   _O20    55     1.43875   110.59372   -31.90075
   43    40 S   CT   _C18    67     1.53838   115.94674  -148.24842
   44    43 S   HC   _H32    68     1.09805   110.06474   166.60012
   45    43 S   HC   _H33    69     1.09567   111.50596    48.76254
   46    43 S   HC   _H34    70     1.09371   112.96220   -75.70599
   47    40 S   OH   _O22    71     1.43130   108.17595    89.82583
   48    47 S   HO   _H38    72     0.97078   108.09531   152.41080
   49    41 S   CA   _C8_    41     1.40952   120.00013   -26.18030
   50    42 S   CT   _C15    56     1.42742   117.15556    61.24389
   51    50 S   HC   _H31    57     1.09424   104.42236  -144.23071
   52    49 S   CA   _C5_    42     1.40488   121.40569  -177.06555
   53    52 S   HA   _H25    43     1.08710   120.34382   179.35199
   54    33 S   CT   _C13    51     1.53973   111.82016    55.83023
   55    54 S   HC   _H27    52     1.09580   111.32587   -58.34229
   56    54 S   HC   _H28    53     1.09918   110.51722  -175.91486
   57    33 S   CT   _C14    58     1.54129   110.74783   -65.35979
   58    57 S   HC   _H29    59     1.09950   108.62654   179.88131
   59    57 S   HC   _H30    60     1.09513   112.07704    65.09183
   60    50 S   CT   _C19    61     1.52805   110.28266   100.62279
   61    60 S   HC   _H35    62     1.09780   109.12679    45.36106
   62    60 S   HC   _H36    63     1.09672   110.11801   -70.22578
   63    52 S   CA   _C4_    44     1.39007   120.43244    -1.50168
   64    63 S   HA   _H24    45     1.08571   120.20713  -179.41483
   65    60 S   CO3  _C12    64     1.53266   115.10833   165.83080
   66    65 S   O2Z  _O18    65     1.26476   114.27934   158.79324
   67    65 S   O2Z  _O19    66     1.26281   116.47797   -21.50326
   68    63 S   CA   _C6_    46     1.38876   119.58404     0.16902
   69    68 S   HA   _H26    47     1.08658   119.74299  -179.54415
   70    41 S   CA   _C9_    48     1.41502   123.47590   155.02451
   71    70 S   OH   _O21    49     1.37311   122.86251    -2.66917
   72    71 S   HO   _H37    50     0.97561   107.14463     5.79065
  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  12   5   4   3
  19   2   1   1  20  13   4  13  12  15   6   3   2   1   2   1
  11  11   7   9   4   7   2   1   6   2   1   5   4   3   5   3
   2   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    49    54    55    56    40    50    57    58    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    49    52    54    55    56    40    42    50    51    57    58    59    60    43    47  
   35    36  
   36  
    0  
   38    39    41    49    70    54    55    56    40    42    50    57    58    59    43    44    45    46    47    48  
   39    41    49    52    68    70    71    54    40    42    57    43    47  
   41    49    70    40  
   42    50    51    57    60    43    44    45    46    47    48    41    54  
   49    52    53    63    68    69    70    71    72    54    55    56  
   50    51    57    58    59    60    61    62    65    43    44    45    46    47    48  
   44    45    46    47    48    50  
   45    46    47  
   46    47  
   47  
   48    50  
    0  
   52    53    63    64    68    70    71    54    55    56    57  
   51    57    58    59    60    61    62    65    66    67    54  
   57    58    59    60    61    62    65  
   53    63    64    68    69    70    54    55    56  
   63    64    68    54  
   55    56    57    58    59    63    70  
   56    57  
   57  
   58    59    60    61    62    65  
   59    60  
   60  
   61    62    65    66    67  
   62    65    66    67  
   65    66    67  
   64    68    69    70    71  
   68    69    70  
   66    67  
   67  
    0  
   69    70    71    72  
   70    71  
   71    72  
   72  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   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    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    54   268.000  1.529
   33    57   268.000  1.529
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    41   320.000  1.460
   41    49   469.000  1.400
   41    70   469.000  1.400
   49    52   469.000  1.400
   49    54   317.000  1.510
   52    53   367.000  1.080
   52    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   40    42   320.000  1.380
   40    43   250.000  1.527
   40    47   380.000  1.407
   42    50   320.000  1.410
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   317.000  1.522
   65    66   656.000  1.250
   65    67   656.000  1.250
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   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    75.00000  112.20000
   29    33    54    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    54    49    70.00000  112.17500
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    57    50    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   37    38    39    65.00000  137.10300
   37    38    41    60.00000  123.20500
   37    40    42    85.00000  110.90400
   37    40    43    70.00000  112.02700
   37    40    47    90.00000  110.39200
   38    41    49    60.00000  120.93500
   38    41    70    60.00000  120.93500
   41    38    39    85.00000  114.86500
   41    49    52    63.00000  120.00000
   41    49    54    70.00000  120.00000
   41    70    68    63.00000  120.00000
   41    70    71    70.00000  120.00000
   49    52    53    35.00000  120.00000
   49    52    63    63.00000  120.00000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   52    63    64    35.00000  120.00000
   52    63    68    63.00000  120.00000
   63    52    53    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    70    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    70    71    70.00000  120.00000
   70    41    49    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   54    33    37    70.00000  112.02700
   54    49    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   40    37    38    70.00000  124.00000
   40    42    50    60.00000  109.50000
   40    43    44    45.00000  108.72000
   40    43    45    45.00000  108.72000
   40    43    46    45.00000  108.72000
   40    47    48    70.00000  107.92000
   42    50    51    35.00000  109.50000
   42    50    57    50.00000  109.50000
   42    50    60    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    65    70.00000  109.69300
   57    33    37    70.00000  112.02700
   57    33    54    58.35000  112.70000
   57    50    51    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    57    58.35000  112.70000
   60    65    66    70.00000  117.00000
   60    65    67    70.00000  117.00000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   67    65    66    80.00000  126.00000
   43    40    42    90.00000  108.56700
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    42   110.00000  112.08000
   47    40    43    90.00000  110.19100
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    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
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  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
   29    33    57    50   0.44750  1.0 1.0
   29    33    57    50  -0.17800 -1.0 2.0
   29    33    57    50   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    40    42   0.09700  1.0 1.0
   33    37    40    42   0.15600 -1.0 2.0
   33    37    40    42  -0.50800  1.0 3.0
   33    37    40    43   0.46850  1.0 1.0
   33    37    40    43   0.08550 -1.0 2.0
   33    37    40    43   0.09800  1.0 3.0
   33    37    40    47   0.18000  1.0 1.0
   33    37    40    47   0.16450 -1.0 2.0
   33    37    40    47   0.04450  1.0 3.0
   37    33    54    49   0.21200  1.0 1.0
   37    33    54    49   0.16900 -1.0 2.0
   37    33    54    49  -1.15100  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    33    57    50   0.34400  1.0 1.0
   37    33    57    50   0.09450 -1.0 2.0
   37    33    57    50   0.11100  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    38   -41    49   0.15800  1.0 1.0
   37    38   -41    49   1.85350 -1.0 2.0
   37    38   -41    49  -0.48700  1.0 3.0
   37    38    41    70   0.15800  1.0 1.0
   37    38    41    70   1.85350 -1.0 2.0
   37    38    41    70  -0.48700  1.0 3.0
   37    40   -42    50  -0.77900  1.0 1.0
   37    40   -42    50  -0.36900 -1.0 2.0
   37    40   -42    50   0.40400  1.0 3.0
   37    40    43    44   0.15000  1.0 3.0
   37    40    43    45   0.15000  1.0 3.0
   37    40    43    46   0.15000  1.0 3.0
   37    40    47    48  -0.07800  1.0 1.0
   37    40    47    48  -0.21500 -1.0 2.0
   37    40    47    48  -0.03150  1.0 3.0
   38    37    40    42   0.39000  1.0 1.0
   38    37    40    42  -0.05800 -1.0 2.0
   38    37    40    42  -0.55150  1.0 3.0
   38    37    40    43   0.09850  1.0 1.0
   38    37    40    43   0.15250 -1.0 2.0
   38    37    40    43  -0.50650  1.0 3.0
   38    37    40    47   0.67800  1.0 1.0
   38    37    40    47   0.47050 -1.0 2.0
   38    37    40    47  -0.62500  1.0 3.0
   38    41    49    52   3.62500 -1.0 2.0
   38    41    49    54   3.62500 -1.0 2.0
   38    41    70    68   3.62500 -1.0 2.0
   38    41    70    71   3.62500 -1.0 2.0
   39    38    41    49  -0.01750  1.0 1.0
   39    38    41    49  -0.32000 -1.0 2.0
   39    38    41    49   0.00600  1.0 3.0
   39    38    41    70  -0.01750  1.0 1.0
   39    38    41    70  -0.32000 -1.0 2.0
   39    38    41    70   0.00600  1.0 3.0
   41    49    52    53   3.62500 -1.0 2.0
   41    49    52    63   3.62500 -1.0 2.0
   41    49   -54    33   0.04150 -1.0 2.0
   41    49    54    55   0.00000  1.0 1.0
   41    49    54    56   0.00000  1.0 1.0
   41    70    71    72   0.84100 -1.0 2.0
   49    41    70    68   3.62500 -1.0 2.0
   49    41    70    71   3.62500 -1.0 2.0
   49    52    63    64   3.62500 -1.0 2.0
   49    52   -63    68   3.62500 -1.0 2.0
   52    49    54    33   0.04150 -1.0 2.0
   52    49    54    55   0.00000  1.0 1.0
   52    49    54    56   0.00000  1.0 1.0
   52    63    68    69   3.62500 -1.0 2.0
   52    63    68    70   3.62500 -1.0 2.0
   53    52    63    64   3.62500 -1.0 2.0
   53    52    63    68   3.62500 -1.0 2.0
   63    68   -70    41   3.62500 -1.0 2.0
   63    68    70    71   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    41   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    41   -49    52   3.62500 -1.0 2.0
   70    41    49    54   3.62500 -1.0 2.0
   54    33   -37    38   0.09850  1.0 1.0
   54    33   -37    38   0.15250 -1.0 2.0
   54    33   -37    38  -0.50650  1.0 3.0
   54    33    37    40   0.46850  1.0 1.0
   54    33    37    40   0.08550 -1.0 2.0
   54    33    37    40   0.09800  1.0 3.0
   54    33    57    50   0.56750  1.0 1.0
   54    33    57    50  -0.07550 -1.0 2.0
   54    33    57    50   0.20000  1.0 3.0
   54    33    57    58   0.15000  1.0 3.0
   54    33    57    59   0.15000  1.0 3.0
   54    49    52    53   3.62500 -1.0 2.0
   54    49    52    63   3.62500 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    42    50    51   0.37050  1.0 3.0
   40    42    50    57   0.06250  1.0 1.0
   40    42    50    57  -0.01100 -1.0 2.0
   40    42    50    57   0.28050  1.0 3.0
   40    42    50    60   0.06250  1.0 1.0
   40    42    50    60  -0.01100 -1.0 2.0
   40    42    50    60   0.28050  1.0 3.0
   42    40    43    44   0.23400  1.0 3.0
   42    40    43    45   0.23400  1.0 3.0
   42    40    43    46   0.23400  1.0 3.0
   42    40    47    48  -0.50000  1.0 1.0
   42    40    47    48  -0.73950 -1.0 2.0
   42    40    47    48   0.17150  1.0 3.0
   42    50   -57    33   0.62750  1.0 1.0
   42    50   -57    33  -0.30950 -1.0 2.0
   42    50   -57    33   0.27300  1.0 3.0
   42    50    57    58   0.23400  1.0 3.0
   42    50    57    59   0.23400  1.0 3.0
   42    50    60    61   0.23400  1.0 3.0
   42    50    60    62   0.23400  1.0 3.0
   42    50    60    65  -3.35100  1.0 1.0
   42    50    60    65  -0.37050 -1.0 2.0
   42    50    60    65   0.22400  1.0 3.0
   50    60    65    66   0.41150 -1.0 2.0
   50    60    65    67   0.41150 -1.0 2.0
   51    50    57    33   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    62   0.15000  1.0 3.0
   51    50    60    65  -0.11250  1.0 3.0
   57    33    37    38   0.09850  1.0 1.0
   57    33    37    38   0.15250 -1.0 2.0
   57    33    37    38  -0.50650  1.0 3.0
   57    33   -37    40   0.46850  1.0 1.0
   57    33   -37    40   0.08550 -1.0 2.0
   57    33   -37    40   0.09800  1.0 3.0
   57    33    54    49  -0.03700  1.0 1.0
   57    33    54    49   0.37200 -1.0 2.0
   57    33    54    49  -0.47300  1.0 3.0
   57    33    54    55   0.15000  1.0 3.0
   57    33    54    56   0.15000  1.0 3.0
   57    50    60    61   0.15000  1.0 3.0
   57    50    60    62   0.15000  1.0 3.0
   57    50    60    65  -1.63150  1.0 1.0
   57    50    60    65  -0.43550 -1.0 2.0
   57    50    60    65   0.24500  1.0 3.0
   60    50    57    33   0.56750  1.0 1.0
   60    50    57    33  -0.07550 -1.0 2.0
   60    50    57    33   0.20000  1.0 3.0
   60    50    57    58   0.15000  1.0 3.0
   60    50    57    59   0.15000  1.0 3.0
   61    60    65    66   0.00000  1.0 1.0
   61    60    65    67   0.00000  1.0 1.0
   62    60    65    66   0.00000  1.0 1.0
   62    60    65    67   0.00000  1.0 1.0
   43    40    42    50   0.06250  1.0 1.0
   43    40    42    50  -0.01100 -1.0 2.0
   43    40    42    50   0.28050  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    42    50  -0.81800  1.0 1.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   49    70    41    38   4.00000 -1.0 2.0
   52    54    49    41   4.00000 -1.0 2.0
   63    53    52    49   1.10000 -1.0 2.0
   68    64    63    52   1.10000 -1.0 2.0
   70    69    68    63   1.10000 -1.0 2.0
   68    71    70    41   4.00000 -1.0 2.0
   66    60    65    67  10.50000 -1.0 2.0
END
