* LIGAND DATABASE FILE (OPLS2005)
*
001      70    73    134    209     385
    1     0 S   NP   _N1_     1    29.48248    93.76865   -25.89173
    2     1 S   H    _HN1     2     1.02947    83.59990     9.24206
    3     1 S   H    _H1_     3     1.02827    24.89712  -151.50902
    4     1 S   H    _H2_     4     1.02795   124.70110   -98.71301
    5     1 S   CT   _CA1     5     1.50132   113.09362   118.74209
    6     5 S   HC   _HA1     6     1.09574   105.15198    85.98193
    7     5 S   CO3  _C1_     7     1.53761   112.47550   -34.21139
    8     7 S   O2Z  _O11     8     1.26378   114.99833   -42.11308
    9     7 S   O2Z  _O12     9     1.26235   114.93945   136.87519
   10     5 S   CT   _CB1    10     1.53057   107.40529  -156.05271
   11    10 S   HC   HB11    11     1.09843   109.30550   -49.32547
   12    10 S   HC   HB12    12     1.09810   110.48192    67.25925
   13    10 S   CT   _CG1    13     1.53033   112.66253  -170.25846
   14    13 S   HC   HG11    14     1.09566   110.75054   -67.91852
   15    13 S   HC   HG12    15     1.09670   109.68255    51.33764
   16    13 S   C    _CD1    16     1.51819   111.93173   171.81962
   17    16 S   O    _OE1    17     1.22763   123.15129    13.53139
   18    16 S   N    _N2_    18     1.38654   111.88120  -166.46779
   19    18 S   H    _HN2    19     1.01575   118.99395     0.85775
   20    18 S   CT1  _CA2    20     1.46214   123.33551   176.11572
   21    20 S   HC   _HA2    21     1.09740   109.25151     7.69998
   22    20 S   C    _C2_    22     1.53692   108.87354  -107.78077
   23    22 S   O    _O2_    23     1.23080   122.22301  -149.12428
   24    20 S   CT   _CB2    32     1.53290   111.72350   129.65940
   25    24 S   HC   HB21    33     1.09590   110.24851    56.95324
   26    24 S   HC   HB22    34     1.09498   110.03114   176.00227
   27    22 S   N    _N3_    24     1.38306   113.88491    38.36198
   28    27 S   H    _HN3    25     1.01539   119.61146    -3.18703
   29    24 S   S    _SG2    35     1.82549   111.65630   -63.93211
   30    27 S   CT   _CA3    26     1.45284   123.32231   177.23785
   31    30 S   HC   HA31    27     1.09546   107.50308   -65.13961
   32    30 S   HC   HA32    28     1.09554   108.01808    51.33493
   33    29 S   CT   _C13    36     1.83592    98.79709  -179.56749
   34    33 S   HC   _H3_    37     1.09556   106.59254   -53.84601
   35    30 S   CO3  _C3_    29     1.52985   114.00605   173.33482
   36    35 S   O2Z  _O31    30     1.26390   116.06489    -0.65432
   37    35 S   O2Z  _O32    31     1.26422   114.42543   179.40719
   38    33 S   CM   _C8_    38     1.52132   110.77396  -172.23653
   39    33 S   OS   _O20    63     1.43359   114.45723    61.37023
   40    38 S   CT   _C11    39     1.52014   115.56487  -102.28646
   41    40 S   HC   _H26    40     1.09860   109.74324   140.13228
   42    38 S   CMA  _C10    64     1.37011   122.31316    80.11612
   43    42 S   OM   _O16    65     1.26988   125.25872     0.14127
   44    40 S   CM   _C4_    41     1.50734   112.59182   -99.50019
   45    44 S   HC   _H23    42     1.08163   123.87479   -45.43755
   46    42 S   OS   _O21    66     1.42108   111.45901   178.79976
   47    44 S   CM   _C5_    43     1.33569   112.25310   138.20638
   48    47 S   HC   _H24    44     1.08063   124.23864   177.07210
   49    46 S   CT   _C18    67     1.42690   114.70594   148.14397
   50    49 S   HC   _H34    68     1.09405   107.74604  -172.20276
   51    49 S   HC   _H35    69     1.09481   111.02650    69.90285
   52    49 S   HC   _H36    70     1.09532   111.10530   -54.07710
   53    47 S   CT   _C16    45     1.49107   111.41262    -0.90461
   54    53 S   CT   _C12    46     1.50199   115.93424  -127.40453
   55    54 S   HC   _H27    47     1.09551   114.02548   -28.10406
   56    54 S   CM   _C6_    48     1.49353   101.54836  -147.01339
   57    54 S   OS   _O19    58     1.42255   108.02794    94.67068
   58    56 S   CO4  _C7_    49     1.48317   107.53349    19.22385
   59    58 S   O    _O17    50     1.21698   127.52611   169.24055
   60    56 S   CM   _C9_    52     1.34076   125.76484  -159.45728
   61    60 S   HC   _H25    53     1.08954   117.31932    -1.62811
   62    57 S   CO   _C15    59     1.43842   110.05332    11.87068
   63    62 S   HC   _H30    60     1.09491   105.37586   119.27077
   64    53 S   OS   _O18    51     1.42406   110.47830   109.97768
   65    60 S   CT   _C17    54     1.49346   128.61371   177.78592
   66    65 S   HC   _H31    55     1.09495   109.37846  -128.33498
   67    65 S   HC   _H32    56     1.09426   109.81195   113.29406
   68    65 S   HC   _H33    57     1.09074   113.88203    -8.43627
   69    40 S   CT   _C14    61     1.54248   115.92688    17.82901
   70    69 S   HC   _H29    62     1.09774   110.22693    96.88260
  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   2   1   1  14   9  16   8   8   2   9   4   4  11   4
   3   2   1   1  12  13   7  12   7   6   2   6   4   4   2   2
   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    62    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    57    62    63    69    39    42    43    46  
   38    40    62    39    42  
   36    37  
   37  
    0  
   40    41    44    45    47    53    62    69    70    39    42    43    46    49  
   42    40    53    54    57    62    63    69    70  
   41    44    45    47    48    53    54    64    57    62    63    69    70    42    43    46  
   44    45    47    53    62    69    70    42  
   43    46    49    50    51    52    44    69  
   46    49  
   45    47    48    53    54    64    62    69    70  
   47    48    53    69  
   49    50    51    52  
   48    53    54    55    56    58    64    57    62    69    70  
   53    54    64    69  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    58    59    64    60    57    62    63    69    70  
   55    56    58    59    64    60    61    65    57    62    63    69    70  
   56    58    64    60    57    62    69  
   58    59    64    60    61    65    66    67    68    57    62    69  
   62    63    69    70    58    60    64  
   59    64    60    61    65    69  
   64    60  
   61    65    66    67    68    64  
   65    66    67    68  
   63    69    70    64  
   69    70  
   69    70  
   66    67    68  
   67    68  
   68  
    0  
   70  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   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  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.319000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   317.000  1.510
   38    42   465.000  1.376
   40    41   340.000  1.090
   40    44   317.000  1.510
   40    69   268.000  1.529
   44    45   340.000  1.080
   44    47   549.000  1.340
   47    48   340.000  1.080
   47    53   317.000  1.510
   53    54   268.000  1.529
   53    64   320.000  1.410
   53    69   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    57   320.000  1.410
   56    58   320.000  1.462
   56    60   549.000  1.340
   58    59   570.000  1.229
   58    64   214.000  1.327
   60    61   340.000  1.080
   60    65   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   57    62   320.000  1.380
   62    63   340.000  1.090
   62    69   250.000  1.527
   62    39   320.000  1.380
   69    70   340.000  1.090
   42    43   745.000  1.250
   42    46   440.000  1.360
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    62    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  109.50000
   38    40    44    70.00000  110.12100
   38    40    69    70.00000  112.02700
   38    42    43    65.00000  137.10300
   38    42    46    80.00000  120.01400
   40    44    45    35.00000  117.00000
   40    44    47    70.00000  124.00000
   40    69    53    58.35000  112.70000
   40    69    62    75.00000  109.43000
   40    69    70    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    47    48    35.00000  120.00000
   44    47    53    70.00000  124.00000
   47    44    45    35.00000  120.00000
   47    53    54    70.00000  112.02700
   47    53    64    85.00000  110.90400
   47    53    69    70.00000  112.02700
   53    47    48    35.00000  117.00000
   53    54    55    37.50000  110.70000
   53    54    56    70.00000  112.02700
   53    54    57    50.00000  109.50000
   53    64    58    83.00000  116.90000
   53    69    62    75.00000  109.43000
   53    69    70    37.50000  110.70000
   54    56    58    65.00000  116.34900
   54    56    60    70.00000  124.00000
   54    57    62    60.00000  109.50000
   56    54    55    35.00000  109.50000
   56    58    59    80.00000  123.72100
   56    58    64    90.00000  111.29400
   56    60    61    35.00000  120.00000
   56    60    65    70.00000  124.00000
   64    53    54    50.00000  109.50000
   64    58    59    83.00000  123.40000
   60    56    58    65.00000  118.96000
   60    65    66    35.00000  109.50000
   60    65    67    35.00000  109.50000
   60    65    68    35.00000  109.50000
   65    60    61    35.00000  117.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    85.00000  110.90400
   57    62    63    35.00000  109.50000
   57    62    69    90.00000  108.56700
   57    62    39    92.60000  111.55000
   62    69    70    45.00000  108.72000
   69    40    41    37.50000  110.70000
   69    40    44    70.00000  112.02700
   69    53    54    58.35000  112.70000
   69    53    64    50.00000  109.50000
   69    62    63    45.00000  112.01100
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    62    63    35.00000  109.50000
   39    62    69    90.00000  108.56700
   42    38    40    70.00000  124.00000
   42    46    49    90.00000  111.18400
   46    42    43    65.00000  121.00000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    62   0.14700  1.0 1.0
   29    33    39    62  -1.16150 -1.0 2.0
   29    33    39    62   0.48700  1.0 3.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    44   0.09700  1.0 1.0
   33    38    40    44   0.15600 -1.0 2.0
   33    38    40    44  -0.50800  1.0 3.0
   33    38    40    69   0.46850  1.0 1.0
   33    38    40    69   0.08550 -1.0 2.0
   33    38    40    69   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   34    33    38    40   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    62   0.37050  1.0 3.0
   38    33    39    62  -0.77900  1.0 1.0
   38    33    39    62  -0.36900 -1.0 2.0
   38    33    39    62   0.40400  1.0 3.0
   38    40    44    45   0.00000  1.0 1.0
   38    40    44    47  -0.28300  1.0 1.0
   38    40    44    47   0.26700 -1.0 2.0
   38    40    44    47  -0.63300  1.0 3.0
   38    40    69    53   0.34400  1.0 1.0
   38    40    69    53   0.09450 -1.0 2.0
   38    40    69    53   0.11100  1.0 3.0
   38    40   -69    62   0.34400  1.0 1.0
   38    40   -69    62   0.09450 -1.0 2.0
   38    40   -69    62   0.11100  1.0 3.0
   38    40    69    70   0.15000  1.0 3.0
   38    42    46    49  -2.26850  1.0 1.0
   38    42    46    49   3.39050 -1.0 2.0
   40    38    42    43   7.00000 -1.0 2.0
   40    38    42    46   7.00000 -1.0 2.0
   40    44    47    48   7.00000 -1.0 2.0
   40    44   -47    53   7.00000 -1.0 2.0
   41    40    44    45   0.33100  1.0 3.0
   41    40    44    47   0.00000  1.0 1.0
   41    40    69    53   0.15000  1.0 3.0
   41    40    69    62   0.15000  1.0 3.0
   41    40    69    70   0.15000  1.0 3.0
   44    40   -69    53   0.34400  1.0 1.0
   44    40   -69    53   0.09450 -1.0 2.0
   44    40   -69    53   0.11100  1.0 3.0
   44    40    69    62   0.34400  1.0 1.0
   44    40    69    62   0.09450 -1.0 2.0
   44    40    69    62   0.11100  1.0 3.0
   44    40    69    70   0.15000  1.0 3.0
   44    47    53    54   0.09850  1.0 1.0
   44    47    53    54   0.15250 -1.0 2.0
   44    47    53    54  -0.50650  1.0 3.0
   44    47    53    64   0.39000  1.0 1.0
   44    47    53    64  -0.05800 -1.0 2.0
   44    47    53    64  -0.55150  1.0 3.0
   44    47   -53    69   0.09850  1.0 1.0
   44    47   -53    69   0.15250 -1.0 2.0
   44    47   -53    69  -0.50650  1.0 3.0
   45    44    47    48   7.00000 -1.0 2.0
   45    44    47    53   7.00000 -1.0 2.0
   47    53    54    55   0.15000  1.0 3.0
   47    53    54    56   0.31000  1.0 1.0
   47    53    54    56   0.14700 -1.0 2.0
   47    53    54    56   0.07550  1.0 3.0
   47    53    54    57   0.61850  1.0 1.0
   47    53    54    57  -0.22750 -1.0 2.0
   47    53    54    57   0.15300  1.0 3.0
   47    53    64    58  -0.82050  1.0 1.0
   47    53    64    58   0.00600 -1.0 2.0
   47    53    64    58   0.04400  1.0 3.0
   47    53   -69    40   0.34400  1.0 1.0
   47    53   -69    40   0.09450 -1.0 2.0
   47    53   -69    40   0.11100  1.0 3.0
   47    53    69    62   0.34400  1.0 1.0
   47    53    69    62   0.09450 -1.0 2.0
   47    53    69    62   0.11100  1.0 3.0
   47    53    69    70   0.15000  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    64   0.00000  1.0 1.0
   48    47    53    69   0.00000  1.0 1.0
   53    54   -56    58   0.09700  1.0 1.0
   53    54   -56    58   0.15600 -1.0 2.0
   53    54   -56    58  -0.50800  1.0 3.0
   53    54    56    60   0.09850  1.0 1.0
   53    54    56    60   0.15250 -1.0 2.0
   53    54    56    60  -0.50650  1.0 3.0
   53    54   -57    62   0.06250  1.0 1.0
   53    54   -57    62  -0.01100 -1.0 2.0
   53    54   -57    62   0.28050  1.0 3.0
   54    53   -64    58  -0.25900  1.0 1.0
   54    53   -64    58  -0.47000 -1.0 2.0
   54    53   -64    58   0.11750  1.0 3.0
   54    53    69    40   0.56750  1.0 1.0
   54    53    69    40  -0.07550 -1.0 2.0
   54    53    69    40   0.20000  1.0 3.0
   54    53   -69    62   3.97050  1.0 1.0
   54    53    69    70   0.15000  1.0 3.0
   54    56    58    59  -0.64400  1.0 1.0
   54    56    58    59   0.26850 -1.0 2.0
   54    56   -58    64  -0.15000  1.0 1.0
   54    56   -58    64   0.89550 -1.0 2.0
   54    56   -58    64  -0.06900  1.0 3.0
   54    56    60    61   7.00000 -1.0 2.0
   54    56    60    65   7.00000 -1.0 2.0
   54    57    62    63   0.37050  1.0 3.0
   54    57   -62    69   0.06250  1.0 1.0
   54    57   -62    69  -0.01100 -1.0 2.0
   54    57   -62    69   0.28050  1.0 3.0
   54    57    62    39  -0.53350  1.0 1.0
   54    57    62    39  -0.78350 -1.0 2.0
   54    57    62    39   0.33750  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.00000  1.0 1.0
   55    54    57    62   0.37050  1.0 3.0
   56    54    57    62  -0.77900  1.0 1.0
   56    54    57    62  -0.36900 -1.0 2.0
   56    54    57    62   0.40400  1.0 3.0
   56    58   -64    53   2.00000 -1.0 2.0
   56    60    65    66   0.00000  1.0 1.0
   56    60    65    67   0.00000  1.0 1.0
   56    60    65    68   0.00000  1.0 1.0
   58    56    60    61   7.00000 -1.0 2.0
   58    56    60    65   7.00000 -1.0 2.0
   59    58    64    53   3.00000 -1.0 2.0
   64    53    54    55   0.23400  1.0 3.0
   64    53   -54    56   0.61850  1.0 1.0
   64    53   -54    56  -0.22750 -1.0 2.0
   64    53   -54    56   0.15300  1.0 3.0
   64    53    54    57   1.11900  1.0 1.0
   64    53    54    57  -1.16350 -1.0 2.0
   64    53    54    57  -0.34150  1.0 3.0
   64    53    69    40   0.62750  1.0 1.0
   64    53    69    40  -0.30950 -1.0 2.0
   64    53    69    40   0.27300  1.0 3.0
   64    53    69    62   0.62750  1.0 1.0
   64    53    69    62  -0.30950 -1.0 2.0
   64    53    69    62   0.27300  1.0 3.0
   64    53    69    70   0.23400  1.0 3.0
   60    56    58    59   1.00000 -1.0 2.0
   60    56    58    64  -0.56150  1.0 1.0
   60    56    58    64   2.19150 -1.0 2.0
   61    60    65    66   0.33100  1.0 3.0
   61    60    65    67   0.33100  1.0 3.0
   61    60    65    68   0.33100  1.0 3.0
   57    54    56    58   0.09700  1.0 1.0
   57    54    56    58   0.15600 -1.0 2.0
   57    54    56    58  -0.50800  1.0 3.0
   57    54    56    60   0.39000  1.0 1.0
   57    54    56    60  -0.05800 -1.0 2.0
   57    54    56    60  -0.55150  1.0 3.0
   57    62    69    40   0.62750  1.0 1.0
   57    62    69    40  -0.30950 -1.0 2.0
   57    62    69    40   0.27300  1.0 3.0
   57    62   -69    53   0.62750  1.0 1.0
   57    62   -69    53  -0.30950 -1.0 2.0
   57    62   -69    53   0.27300  1.0 3.0
   57    62    69    70   0.23400  1.0 3.0
   57    62    39    33  -0.53350  1.0 1.0
   57    62    39    33  -0.78350 -1.0 2.0
   57    62    39    33   0.33750  1.0 3.0
   63    62    69    40   0.15000  1.0 3.0
   63    62    69    53   0.15000  1.0 3.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    39    33   0.37050  1.0 3.0
   69    40    44    45   0.00000  1.0 1.0
   69    40   -44    47   0.09850  1.0 1.0
   69    40   -44    47   0.15250 -1.0 2.0
   69    40   -44    47  -0.50650  1.0 3.0
   69    53    54    55   0.15000  1.0 3.0
   69    53    54    56   0.34400  1.0 1.0
   69    53    54    56   0.09450 -1.0 2.0
   69    53    54    56   0.11100  1.0 3.0
   69    53   -54    57   0.62750  1.0 1.0
   69    53   -54    57  -0.30950 -1.0 2.0
   69    53   -54    57   0.27300  1.0 3.0
   69    53    64    58  -0.25900  1.0 1.0
   69    53    64    58  -0.47000 -1.0 2.0
   69    53    64    58   0.11750  1.0 3.0
   69    62   -39    33   0.06250  1.0 1.0
   69    62   -39    33  -0.01100 -1.0 2.0
   69    62   -39    33   0.28050  1.0 3.0
   39    33    38    40   0.09700  1.0 1.0
   39    33    38    40   0.15600 -1.0 2.0
   39    33    38    40  -0.50800  1.0 3.0
   39    33    38    42   0.39000  1.0 1.0
   39    33    38    42  -0.05800 -1.0 2.0
   39    33    38    42  -0.55150  1.0 3.0
   39    62   -69    40   0.62750  1.0 1.0
   39    62   -69    40  -0.30950 -1.0 2.0
   39    62   -69    40   0.27300  1.0 3.0
   39    62    69    53   0.62750  1.0 1.0
   39    62    69    53  -0.30950 -1.0 2.0
   39    62    69    53   0.27300  1.0 3.0
   39    62    69    70   0.23400  1.0 3.0
   42    38    40    41   0.00000  1.0 1.0
   42    38    40    44  -0.28300  1.0 1.0
   42    38    40    44   0.26700 -1.0 2.0
   42    38    40    44  -0.63300  1.0 3.0
   42    38    40    69   0.09850  1.0 1.0
   42    38    40    69   0.15250 -1.0 2.0
   42    38    40    69  -0.50650  1.0 3.0
   42    46    49    50   0.08050  1.0 3.0
   42    46    49    51   0.08050  1.0 3.0
   42    46    49    52   0.08050  1.0 3.0
   43    42    46    49   2.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    40    38    42   1.10000 -1.0 2.0
   40    45    44    47   1.10000 -1.0 2.0
   53    48    47    44   1.10000 -1.0 2.0
   54    58    56    60   1.10000 -1.0 2.0
   56    64    58    59  10.50000 -1.0 2.0
   65    61    60    56   1.10000 -1.0 2.0
   43    46    42    38   1.10000 -1.0 2.0
END
