* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    123    186     358
    1     0 S   NP   _N1_     1    28.63061    94.26207   -22.39913
    2     1 S   H    _HN1     2     1.02959    87.83105    26.92234
    3     1 S   H    _H1_     3     1.02838    26.24543   164.62802
    4     1 S   H    _H2_     4     1.02780    98.23547   -81.28176
    5     1 S   CT   _CA1     5     1.50110   135.83810   144.43874
    6     5 S   HC   _HA1     6     1.09574   105.24299    68.50914
    7     5 S   CO3  _C1_     7     1.53789   112.39967   -51.73779
    8     7 S   O2Z  _O11     8     1.26359   115.00462   -43.93102
    9     7 S   O2Z  _O12     9     1.26238   114.92558   135.31174
   10     5 S   CT   _CB1    10     1.53105   107.44887  -173.55512
   11    10 S   HC   HB11    11     1.09824   109.36139   -50.76981
   12    10 S   HC   HB12    12     1.09819   110.40608    65.79060
   13    10 S   CT   _CG1    13     1.53010   112.65755  -171.86641
   14    13 S   HC   HG11    14     1.09599   110.44635   -63.41465
   15    13 S   HC   HG12    15     1.09652   109.97989    55.80188
   16    13 S   C    _CD1    16     1.51815   112.34762   176.19018
   17    16 S   O    _OE1    17     1.22715   123.26764    -2.08919
   18    16 S   N    _N2_    18     1.38616   111.59614   178.06013
   19    18 S   H    _HN2    19     1.01578   119.02904     1.47618
   20    18 S   CT1  _CA2    20     1.46243   123.46785  -179.68973
   21    20 S   HC   _HA2    21     1.09734   109.44124    -6.27498
   22    20 S   C    _C2_    22     1.53478   108.32546  -121.88422
   23    22 S   O    _O2_    23     1.23016   122.25742  -145.30116
   24    20 S   CT   _CB2    32     1.53452   111.38610   115.77914
   25    24 S   HC   HB21    33     1.09497   109.54965    55.83441
   26    24 S   HC   HB22    34     1.09450   110.00716   174.65155
   27    22 S   N    _N3_    24     1.38518   113.43702    42.02778
   28    27 S   H    _HN3    25     1.01507   118.94563    -0.55673
   29    24 S   S    _SG2    35     1.83038   111.34310   -65.62398
   30    27 S   CT   _CA3    26     1.45459   123.49649   175.21484
   31    30 S   HC   HA31    27     1.09517   109.32228    22.92391
   32    30 S   HC   HA32    28     1.09499   107.10141   139.93482
   33    29 S   CT   _C16    36     1.86101   100.88970   167.62826
   34    30 S   CO3  _C3_    29     1.52917   113.04900  -100.61618
   35    34 S   O2Z  _O31    30     1.26407   115.37141   -45.25398
   36    34 S   O2Z  _O32    31     1.26350   115.00548   135.66825
   37    33 S   CM   _C7_    37     1.51036   107.55623    68.72672
   38    37 S   HC   _H22    38     1.09142   115.02149   -73.75248
   39    33 S   OS   _O17    64     1.43820   112.40847   -48.36742
   40    37 S   CMA  _C9_    39     1.35810   127.30661   108.90343
   41    40 S   OM   _O15    40     1.26599   123.16313   177.20992
   42    39 S   CT   _C17    65     1.42138   116.57974   -71.32744
   43    42 S   HC   _H32    66     1.09378   107.82325   172.95491
   44    42 S   HC   _H33    67     1.09304   111.80532    54.33758
   45    42 S   HC   _H34    68     1.09316   111.00985   -69.28772
   46    40 S   OS   _O16    41     1.40675   117.07386    -1.89847
   47    46 S   CT   _C15    42     1.43176   117.97819   -19.85676
   48    47 S   HC   _H31    43     1.09724   108.11317   -70.38580
   49    33 S   CT   _C14    44     1.53623   109.61954  -173.09630
   50    49 S   HC   _H29    45     1.10044   108.65606   162.83483
   51    49 S   HC   _H30    46     1.09803   111.45261    46.42426
   52    47 S   CM   _C11    47     1.50616   107.16956   171.51608
   53    52 S   HC   _H24    48     1.08741   116.09255   -55.26497
   54    52 S   CM   _C10    49     1.34329   123.52475   125.26734
   55    54 S   HC   _H23    50     1.08882   118.54114     1.30806
   56    54 S   CM   _C8_    51     1.46254   126.39590   179.33383
   57    56 S   CM   _C4_    52     1.46042   120.67779  -152.92552
   58    57 S   HC   _H19    53     1.08640   117.74007    -3.20314
   59    57 S   CM   _C5_    54     1.33988   122.86917   175.37861
   60    59 S   HC   _H20    55     1.08595   119.59530  -178.17640
   61    59 S   CT   _C12    56     1.49718   122.44664     0.80064
   62    61 S   HC   _H25    57     1.09640   109.42470   137.86593
   63    61 S   HC   _H26    58     1.09710   108.17287  -106.52877
   64    61 S   CT   _C13    59     1.53418   114.00978    15.59694
   65    64 S   HC   _H27    60     1.09660   108.84121  -144.25077
   66    64 S   HC   _H28    61     1.09739   109.25764   100.04079
   67    56 S   CM   _C6_    62     1.35017   121.22601    33.65728
   68    67 S   HC   _H21    63     1.08728   120.81848    -1.44415
  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  10   5   4   3
  16   2   1   1  10   5   9   6   2   4   2   1   1   8   9   6
   5   2   1   6   3   8   3  10   9   4   8   4   7   5   4   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    49    50    51    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    47    48    49    50    51    52    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    49    50    51    39    42  
   40    41    46    49    39  
   42    43    44    45    40    47    49    50    51  
   41    46    47    48    49    52  
   46    47  
   43    44    45    49  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    54  
   48    49    50    51    52    53    54    55    56  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51    52  
   52  
   53    54    55    56    57    67  
   54    55    56  
   55    56    57    58    59    64    67    68  
   56    57    67  
   57    58    59    60    61    64    65    66    67    68  
   58    59    60    61    62    63    64    67    68  
   59    60    61    67  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64    65    66    67    68  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68  
   66    67    68  
   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  -0.316400   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   0.417900   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  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   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    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    49   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   380.000  1.444
   56    57   380.000  1.444
   56    67   549.000  1.340
   57    58   340.000  1.080
   57    59   549.000  1.340
   59    60   340.000  1.080
   59    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.080
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    47    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    37.50000  110.70000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    80.00000  120.01400
   40    37    38    40.00000  120.50800
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    85.00000  110.90400
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    52    53    35.00000  117.00000
   47    52    54    70.00000  124.00000
   49    33    37    70.00000  112.02700
   49    47    48    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    47    48    35.00000  109.50000
   52    47    49    70.00000  112.02700
   52    54    55    35.00000  120.00000
   52    54    56    70.00000  123.01800
   54    52    53    35.00000  120.00000
   54    56    57    70.00000  123.01800
   54    56    67    70.00000  123.01800
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  120.00000
   56    57    59    70.00000  123.01800
   56    67    64    70.00000  124.00000
   56    67    68    35.00000  120.00000
   57    59    60    35.00000  120.00000
   57    59    61    70.00000  124.00000
   59    57    58    35.00000  120.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    70.00000  112.02700
   61    59    60    35.00000  117.00000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    70.00000  112.02700
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    35.00000  117.00000
   66    64    65    33.00000  107.80000
   67    56    57    70.00000  123.01800
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  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    37    38   0.00000  1.0 1.0
   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    49    47   0.44750  1.0 1.0
   29    33    49    47  -0.17800 -1.0 2.0
   29    33    49    47   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.15000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  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    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    49    47   0.34400  1.0 1.0
   37    33    49    47   0.09450 -1.0 2.0
   37    33    49    47   0.11100  1.0 3.0
   37    33    49    50   0.15000  1.0 3.0
   37    33    49    51   0.15000  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40   -46    47  -2.26850  1.0 1.0
   37    40   -46    47   3.39050 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.48150  1.0 1.0
   40    46    47    52   0.09250 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47   -49    33   0.62750  1.0 1.0
   46    47   -49    33  -0.30950 -1.0 2.0
   46    47   -49    33   0.27300  1.0 3.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    52    53   0.00000  1.0 1.0
   46    47    52    54   0.39000  1.0 1.0
   46    47    52    54  -0.05800 -1.0 2.0
   46    47    52    54  -0.55150  1.0 3.0
   47    52    54    55   7.00000 -1.0 2.0
   47    52    54    56   7.00000 -1.0 2.0
   48    47    49    33   0.15000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    52    53   0.33100  1.0 3.0
   48    47    52    54   0.00000  1.0 1.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    42   0.06250  1.0 1.0
   49    33    39    42  -0.01100 -1.0 2.0
   49    33    39    42   0.28050  1.0 3.0
   49    47    52    53   0.00000  1.0 1.0
   49    47    52    54   0.09850  1.0 1.0
   49    47    52    54   0.15250 -1.0 2.0
   49    47    52    54  -0.50650  1.0 3.0
   52    47    49    33   0.34400  1.0 1.0
   52    47    49    33   0.09450 -1.0 2.0
   52    47    49    33   0.11100  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    54    56    57   0.28850  1.0 1.0
   52    54    56    57   2.61350 -1.0 2.0
   52    54    56    57   0.78400  1.0 3.0
   52    54    56    67   0.28850  1.0 1.0
   52    54    56    67   2.61350 -1.0 2.0
   52    54    56    67   0.78400  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58  -0.18600  1.0 3.0
   54    56    57    59   0.28850  1.0 1.0
   54    56    57    59   2.61350 -1.0 2.0
   54    56    57    59   0.78400  1.0 3.0
   54    56    67    64   7.00000 -1.0 2.0
   54    56    67    68   7.00000 -1.0 2.0
   55    54    56    57  -0.18600  1.0 3.0
   55    54    56    67  -0.18600  1.0 3.0
   56    57    59    60   7.00000 -1.0 2.0
   56    57    59    61   7.00000 -1.0 2.0
   57    56    67    64   7.00000 -1.0 2.0
   57    56    67    68   7.00000 -1.0 2.0
   57    59    61    62   0.00000  1.0 1.0
   57    59    61    63   0.00000  1.0 1.0
   57    59   -61    64   0.09850  1.0 1.0
   57    59   -61    64   0.15250 -1.0 2.0
   57    59   -61    64  -0.50650  1.0 3.0
   58    57    59    60   7.00000 -1.0 2.0
   58    57    59    61   7.00000 -1.0 2.0
   59    61    64    65   0.15000  1.0 3.0
   59    61    64    66   0.15000  1.0 3.0
   59    61    64    67   0.31000  1.0 1.0
   59    61    64    67   0.14700 -1.0 2.0
   59    61    64    67   0.07550  1.0 3.0
   60    59    61    62   0.33100  1.0 3.0
   60    59    61    63   0.33100  1.0 3.0
   60    59    61    64   0.00000  1.0 1.0
   61    64   -67    56   0.09850  1.0 1.0
   61    64   -67    56   0.15250 -1.0 2.0
   61    64   -67    56  -0.50650  1.0 3.0
   61    64    67    68   0.00000  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   65    64    67    56   0.00000  1.0 1.0
   65    64    67    68   0.33100  1.0 3.0
   66    64    67    56   0.00000  1.0 1.0
   66    64    67    68   0.33100  1.0 3.0
   67    56    57    58  -0.18600  1.0 3.0
   67    56   -57    59   0.28850  1.0 1.0
   67    56   -57    59   2.61350 -1.0 2.0
   67    56   -57    59   0.78400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    47   0.62750  1.0 1.0
   39    33    49    47  -0.30950 -1.0 2.0
   39    33    49    47   0.27300  1.0 3.0
   39    33    49    50   0.23400  1.0 3.0
   39    33    49    51   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    38    37    40   1.10000 -1.0 2.0
   41    46    40    37   1.10000 -1.0 2.0
   47    53    52    54  15.00000 -1.0 2.0
   56    55    54    52  15.00000 -1.0 2.0
   54    57    56    67   1.10000 -1.0 2.0
   56    58    57    59   1.10000 -1.0 2.0
   61    60    59    57   1.10000 -1.0 2.0
   64    68    67    56   1.10000 -1.0 2.0
END
