* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    237     439
    1     0 S   NP   _N1_     1    28.85623    94.41010   -19.93692
    2     1 S   H    _HN1     2     1.02838    30.89612   150.13934
    3     1 S   H    _H1_     3     1.02781    82.58048   -64.72732
    4     1 S   H    _H2_     4     1.02966    99.48943    42.67518
    5     1 S   CT   _CA1     5     1.50087   139.00522   179.70591
    6     5 S   HC   _HA1     6     1.09572   105.31189    43.51553
    7     5 S   CO3  _C1_     7     1.53847   112.30563   -76.80165
    8     7 S   O2Z  _O11     8     1.26342   115.06726   -46.30235
    9     7 S   O2Z  _O12     9     1.26239   114.91147   133.07776
   10     5 S   CT   _CB1    10     1.53097   107.42353   161.43100
   11    10 S   HC   HB11    11     1.09816   109.47080   -51.07918
   12    10 S   HC   HB12    12     1.09824   110.32391    65.41855
   13    10 S   CT   _CG1    13     1.53018   112.66048  -172.26295
   14    13 S   HC   HG11    14     1.09564   110.28523   -58.07030
   15    13 S   HC   HG12    15     1.09609   110.27275    61.02770
   16    13 S   C    _CD1    16     1.51791   111.95107  -178.85056
   17    16 S   O    _OE1    17     1.22731   123.06237   -18.85523
   18    16 S   N    _N2_    18     1.38558   111.78358   161.94601
   19    18 S   H    _HN2    19     1.01585   119.07991     1.91121
   20    18 S   CT1  _CA2    20     1.46248   123.46859  -177.05769
   21    20 S   HC   _HA2    21     1.09729   109.40050   -16.58604
   22    20 S   C    _C2_    22     1.53384   108.16186  -132.36101
   23    22 S   O    _O2_    23     1.23001   122.32903  -144.85975
   24    20 S   CT   _CB2    32     1.53457   111.12578   105.60922
   25    24 S   HC   HB21    33     1.09508   109.66676    53.86812
   26    24 S   HC   HB22    34     1.09508   110.75069   172.36853
   27    22 S   N    _N3_    24     1.38536   113.27334    42.45205
   28    27 S   H    _HN3    25     1.01535   118.91124    -0.44279
   29    24 S   S    _SG2    35     1.82881   111.71413   -68.49414
   30    27 S   CT   _CA3    26     1.45447   123.40132   175.12983
   31    30 S   HC   HA31    27     1.09526   109.17440    25.46262
   32    30 S   HC   HA32    28     1.09494   107.13281   142.46326
   33    29 S   CT   _C12    36     1.85360   100.01208   152.72135
   34    33 S   HC   _H6_    37     1.09717   104.37252    36.52582
   35    30 S   CO3  _C3_    29     1.52933   113.17907   -97.96738
   36    35 S   O2Z  _O31    30     1.26397   115.43859   -43.49900
   37    35 S   O2Z  _O32    31     1.26359   114.95820   137.44325
   38    33 S   CT   _C13    38     1.54229   110.56591   -80.23642
   39    38 S   HC   _H15    39     1.09591   108.19685   161.36632
   40    38 S   HC   _H16    40     1.09702   110.01971    46.86844
   41    38 S   CT   _C14    41     1.54074   114.98091   -76.57731
   42    41 S   HC   _H7_    42     1.09735   108.69253  -174.17826
   43    41 S   CT   _C5_    43     1.55457   113.08202   -52.67185
   44    41 S   OH   _O33    74     1.42587   109.34811    70.43765
   45    44 S   HO   _H17    75     0.97186   107.51137    61.59657
   46    43 S   CT   _C6_    44     1.57065   110.38204   170.55419
   47    46 S   HC   _H11    45     1.09721   110.27228    63.64140
   48    46 S   HC   _H12    46     1.09758   109.84523   -52.82892
   49    43 S   CT   _C10    58     1.57876   109.28464    51.19516
   50    49 S   HC   _H5_    59     1.10203   106.62085    63.05161
   51    43 S   CT   _C4_    70     1.55163   107.72948   -73.78204
   52    51 S   HC   _H8_    71     1.08916   113.34021    48.50471
   53    51 S   HC   _H9_    72     1.09746   110.24744   -69.26681
   54    51 S   HC   _H10    73     1.09208   113.23531   171.38240
   55    46 S   CT   _C7_    47     1.54002   113.78925  -173.27404
   56    55 S   HC   _H13    48     1.09631   109.30263   175.52657
   57    55 S   HC   _H14    49     1.09582   110.68236   -67.26605
   58    33 S   CT   _C11    60     1.56191   112.22523   153.08655
   59    55 S   CT   _C8_    50     1.51890   108.75110    55.16565
   60    59 S   HC   _H3_    51     1.10101   108.29793    61.57060
   61    58 S   CT   _C15    61     1.53739   110.09691  -153.57675
   62    61 S   HC   _H18    62     1.09763   110.21554    65.26871
   63    61 S   HC   _H19    63     1.08830   113.76680   -54.41464
   64    61 S   HC   _H20    64     1.09456   111.62681  -177.97281
   65    58 S   OH   _O34    65     1.44136   109.00183   -40.32648
   66    65 S   HO   _H21    66     0.97234   108.10703   -45.49365
   67    59 S   CM   _C17    52     1.48253   122.53058  -174.44459
   68    67 S   CO4  _C16    53     1.48833   105.97424   154.53276
   69    68 S   O    _O36    54     1.21700   127.12491   165.23041
   70    67 S   CM   _C18    67     1.33365   130.68763   -23.76497
   71    70 S   HC   _H22    68     1.08459   121.01224    -1.11715
   72    70 S   HC   _H23    69     1.08510   121.46627   179.02422
   73    68 S   OS   _O35    55     1.37447   106.63925   -13.20983
   74    59 S   CT   _C9_    56     1.51898   111.07770   -59.27042
   75    74 S   HC   _H4_    57     1.09760   111.75122   -57.81229
  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
  18   8   2   1   1  13   6   5  16   6  21   4   1  16   7   6
  20   8   6   2   1   1  10   5   4  10  10   6   6   3   2   1
   2   1   8   7   3   4   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    49    58    61    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    74    49    50    58    61    62    63    64    65    66    44  
   38    39    40    41    49    58    61    65  
   36    37  
   37  
    0  
   39    40    41    42    43    46    49    58    61    65    51    44    45  
   40    41    42    43    58    44  
   41    42    43    58    44  
   42    43    46    47    48    55    74    49    50    58    51    52    53    54    44    45  
   43    46    49    51    44    45  
   46    47    48    55    56    57    59    73    74    75    49    50    58    61    65    51    52    53    54    44    45  
   45    46    49    51  
    0  
   47    48    55    56    57    59    60    67    74    49    50    58    51    52    53    54  
   48    55    56    57    59    49    51  
   55    56    57    59    49    51  
   50    58    61    62    63    64    65    66    51    52    53    54    55    59    60    67    68    73    74    75  
   58    61    65    51    59    73    74    75  
   52    53    54    55    58    74  
   53    54  
   54  
    0  
   56    57    59    60    67    68    73    74    75    70  
   57    59    60    67    74  
   59    60    67    74  
   61    62    63    64    65    66    59    73    74    75  
   60    67    68    69    73    74    75    70    71    72  
   67    68    73    74    75    70  
   62    63    64    65    66    74  
   63    64    65  
   64    65  
   65  
   66    74  
    0  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70    71    72  
   73    74    70  
   71    72    73    74  
   72  
    0  
   74    75  
   75  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    49   268.000  1.529
   43    51   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    67   317.000  1.510
   59    74   268.000  1.529
   67    68   320.000  1.462
   67    70   549.000  1.340
   68    69   570.000  1.229
   68    73   214.000  1.327
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    49   268.000  1.529
   49    50   340.000  1.090
   49    58   268.000  1.529
   58    61   268.000  1.529
   58    65   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   44    45   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    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  111.63000
   29    33    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    58    49    58.35000  112.70000
   33    58    61    58.35000  112.70000
   33    58    65    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    49    58.35000  112.70000
   41    43    51    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    55    58.35000  112.70000
   43    49    74    58.35000  112.70000
   43    49    50    37.50000  110.70000
   43    49    58    58.35000  112.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   46    55    56    37.50000  110.70000
   46    55    57    37.50000  110.70000
   46    55    59    58.35000  112.70000
   48    46    47    33.00000  107.80000
   55    46    47    37.50000  110.70000
   55    46    48    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    67    70.00000  112.02700
   55    59    74    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    67    68    65.00000  116.34900
   59    67    70    70.00000  124.00000
   59    74    73    50.00000  109.50000
   59    74    75    37.50000  110.70000
   59    74    49    58.35000  112.70000
   67    59    60    35.00000  109.50000
   67    68    69    80.00000  123.72100
   67    68    73    90.00000  111.29400
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    73    74    83.00000  116.90000
   73    68    69    83.00000  123.40000
   73    74    75    35.00000  109.50000
   73    74    49    50.00000  109.50000
   74    59    60    37.50000  110.70000
   74    59    67    70.00000  112.02700
   74    49    50    37.50000  110.70000
   74    49    58    58.35000  112.70000
   49    43    46    58.35000  112.70000
   49    74    75    37.50000  110.70000
   49    58    61    58.35000  112.70000
   49    58    65    50.00000  109.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    49    50    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    37.50000  110.70000
   58    65    66    55.00000  108.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    58    61    50.00000  109.50000
   70    67    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   51    43    46    58.35000  112.70000
   51    43    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    58    49   0.44750  1.0 1.0
   29    33    58    49  -0.17800 -1.0 2.0
   29    33    58    49   0.20200  1.0 3.0
   29    33    58    61   0.44750  1.0 1.0
   29    33    58    61  -0.17800 -1.0 2.0
   29    33    58    61   0.20200  1.0 3.0
   29    33    58    65   0.56750  1.0 1.0
   29    33    58    65  -0.07550 -1.0 2.0
   29    33    58    65   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    58    61    62   0.15000  1.0 3.0
   33    58    61    63   0.15000  1.0 3.0
   33    58    61    64   0.15000  1.0 3.0
   33    58    65    66  -0.11600  1.0 1.0
   33    58    65    66  -0.09450 -1.0 2.0
   33    58    65    66   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    58    49   0.15000  1.0 3.0
   34    33    58    61   0.15000  1.0 3.0
   34    33    58    65   0.23400  1.0 3.0
   38    33    58    49   0.56750  1.0 1.0
   38    33    58    49  -0.07550 -1.0 2.0
   38    33    58    49   0.20000  1.0 3.0
   38    33    58    61   0.56750  1.0 1.0
   38    33    58    61  -0.07550 -1.0 2.0
   38    33    58    61   0.20000  1.0 3.0
   38    33    58    65   0.86500  1.0 1.0
   38    33    58    65  -0.17500 -1.0 2.0
   38    33    58    65   0.20800  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    49   0.56750  1.0 1.0
   38    41   -43    49  -0.07550 -1.0 2.0
   38    41   -43    49   0.20000  1.0 3.0
   38    41    43    51   0.56750  1.0 1.0
   38    41    43    51  -0.07550 -1.0 2.0
   38    41    43    51   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    48   0.15000  1.0 3.0
   41    43    46    55   0.56750  1.0 1.0
   41    43    46    55  -0.07550 -1.0 2.0
   41    43    46    55   0.20000  1.0 3.0
   41    43    49    74   0.56750  1.0 1.0
   41    43    49    74  -0.07550 -1.0 2.0
   41    43    49    74   0.20000  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    58   0.56750  1.0 1.0
   41    43    49    58  -0.07550 -1.0 2.0
   41    43    49    58   0.20000  1.0 3.0
   41    43    51    52   0.15000  1.0 3.0
   41    43    51    53   0.15000  1.0 3.0
   41    43    51    54   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    43    51   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    55    56   0.15000  1.0 3.0
   43    46    55    57   0.15000  1.0 3.0
   43    46    55    59   0.56750  1.0 1.0
   43    46    55    59  -0.07550 -1.0 2.0
   43    46    55    59   0.20000  1.0 3.0
   43    49   -58    33   0.56750  1.0 1.0
   43    49   -58    33  -0.07550 -1.0 2.0
   43    49   -58    33   0.20000  1.0 3.0
   43    49    58    61   0.56750  1.0 1.0
   43    49    58    61  -0.07550 -1.0 2.0
   43    49    58    61   0.20000  1.0 3.0
   43    49    58    65   0.86500  1.0 1.0
   43    49    58    65  -0.17500 -1.0 2.0
   43    49    58    65   0.20800  1.0 3.0
   46    43    49    74   0.56750  1.0 1.0
   46    43    49    74  -0.07550 -1.0 2.0
   46    43    49    74   0.20000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    58   0.56750  1.0 1.0
   46    43    49    58  -0.07550 -1.0 2.0
   46    43    49    58   0.20000  1.0 3.0
   46    43    51    52   0.15000  1.0 3.0
   46    43    51    53   0.15000  1.0 3.0
   46    43    51    54   0.15000  1.0 3.0
   46    55    59    60   0.15000  1.0 3.0
   46    55    59    67   0.34400  1.0 1.0
   46    55    59    67   0.09450 -1.0 2.0
   46    55    59    67   0.11100  1.0 3.0
   46    55   -59    74   0.56750  1.0 1.0
   46    55   -59    74  -0.07550 -1.0 2.0
   46    55   -59    74   0.20000  1.0 3.0
   47    46    55    56   0.15000  1.0 3.0
   47    46    55    57   0.15000  1.0 3.0
   47    46    55    59   0.15000  1.0 3.0
   48    46    55    56   0.15000  1.0 3.0
   48    46    55    57   0.15000  1.0 3.0
   48    46    55    59   0.15000  1.0 3.0
   55    59    67    68   0.09700  1.0 1.0
   55    59    67    68   0.15600 -1.0 2.0
   55    59    67    68  -0.50800  1.0 3.0
   55    59    67    70   0.09850  1.0 1.0
   55    59    67    70   0.15250 -1.0 2.0
   55    59    67    70  -0.50650  1.0 3.0
   55    59    74    73   0.62750  1.0 1.0
   55    59    74    73  -0.30950 -1.0 2.0
   55    59    74    73   0.27300  1.0 3.0
   55    59    74    75   0.15000  1.0 3.0
   55    59    74    49   0.56750  1.0 1.0
   55    59    74    49  -0.07550 -1.0 2.0
   55    59    74    49   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    67   0.15000  1.0 3.0
   56    55    59    74   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    67   0.15000  1.0 3.0
   57    55    59    74   0.15000  1.0 3.0
   59    67    68    69  -0.64400  1.0 1.0
   59    67    68    69   0.26850 -1.0 2.0
   59    67   -68    73  -0.15000  1.0 1.0
   59    67   -68    73   0.89550 -1.0 2.0
   59    67   -68    73  -0.06900  1.0 3.0
   59    67    70    71   7.00000 -1.0 2.0
   59    67    70    72   7.00000 -1.0 2.0
   59    74   -49    43   0.56750  1.0 1.0
   59    74   -49    43  -0.07550 -1.0 2.0
   59    74   -49    43   0.20000  1.0 3.0
   59    74    49    50   0.15000  1.0 3.0
   59    74    49    58   0.56750  1.0 1.0
   59    74    49    58  -0.07550 -1.0 2.0
   59    74    49    58   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    70   0.00000  1.0 1.0
   60    59    74    73   0.23400  1.0 3.0
   60    59    74    75   0.15000  1.0 3.0
   60    59    74    49   0.15000  1.0 3.0
   67    59   -74    73   0.61850  1.0 1.0
   67    59   -74    73  -0.22750 -1.0 2.0
   67    59   -74    73   0.15300  1.0 3.0
   67    59    74    75   0.15000  1.0 3.0
   67    59    74    49   0.34400  1.0 1.0
   67    59    74    49   0.09450 -1.0 2.0
   67    59    74    49   0.11100  1.0 3.0
   67    68   -73    74   2.00000 -1.0 2.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   68    73   -74    59  -0.25900  1.0 1.0
   68    73   -74    59  -0.47000 -1.0 2.0
   68    73   -74    59   0.11750  1.0 3.0
   68    73    74    75   0.08050  1.0 3.0
   68    73    74    49  -0.25900  1.0 1.0
   68    73    74    49  -0.47000 -1.0 2.0
   68    73    74    49   0.11750  1.0 3.0
   69    68    73    74   3.00000 -1.0 2.0
   73    74    49    43   0.62750  1.0 1.0
   73    74    49    43  -0.30950 -1.0 2.0
   73    74    49    43   0.27300  1.0 3.0
   73    74    49    50   0.23400  1.0 3.0
   73    74    49    58   0.62750  1.0 1.0
   73    74    49    58  -0.30950 -1.0 2.0
   73    74    49    58   0.27300  1.0 3.0
   74    59   -67    68   0.09700  1.0 1.0
   74    59   -67    68   0.15600 -1.0 2.0
   74    59   -67    68  -0.50800  1.0 3.0
   74    59    67    70   0.09850  1.0 1.0
   74    59    67    70   0.15250 -1.0 2.0
   74    59    67    70  -0.50650  1.0 3.0
   74    49    58    33   0.56750  1.0 1.0
   74    49    58    33  -0.07550 -1.0 2.0
   74    49    58    33   0.20000  1.0 3.0
   74    49    58    61   0.56750  1.0 1.0
   74    49    58    61  -0.07550 -1.0 2.0
   74    49    58    61   0.20000  1.0 3.0
   74    49    58    65   0.86500  1.0 1.0
   74    49    58    65  -0.17500 -1.0 2.0
   74    49    58    65   0.20800  1.0 3.0
   75    74    49    43   0.15000  1.0 3.0
   75    74    49    50   0.15000  1.0 3.0
   75    74    49    58   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43   -46    55   0.56750  1.0 1.0
   49    43   -46    55  -0.07550 -1.0 2.0
   49    43   -46    55   0.20000  1.0 3.0
   49    43    51    52   0.15000  1.0 3.0
   49    43    51    53   0.15000  1.0 3.0
   49    43    51    54   0.15000  1.0 3.0
   49    58    61    62   0.15000  1.0 3.0
   49    58    61    63   0.15000  1.0 3.0
   49    58    61    64   0.15000  1.0 3.0
   49    58    65    66  -0.11600  1.0 1.0
   49    58    65    66  -0.09450 -1.0 2.0
   49    58    65    66   0.21250  1.0 3.0
   50    49    58    33   0.15000  1.0 3.0
   50    49    58    61   0.15000  1.0 3.0
   50    49    58    65   0.23400  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33    38    40   0.15000  1.0 3.0
   58    33   -38    41   0.56750  1.0 1.0
   58    33   -38    41  -0.07550 -1.0 2.0
   58    33   -38    41   0.20000  1.0 3.0
   61    58    65    66  -0.11600  1.0 1.0
   61    58    65    66  -0.09450 -1.0 2.0
   61    58    65    66   0.21250  1.0 3.0
   65    58    61    62   0.23400  1.0 3.0
   65    58    61    63   0.23400  1.0 3.0
   65    58    61    64   0.23400  1.0 3.0
   70    67    68    69   1.00000 -1.0 2.0
   70    67    68    73  -0.56150  1.0 1.0
   70    67    68    73   2.19150 -1.0 2.0
   51    43    46    47   0.15000  1.0 3.0
   51    43    46    48   0.15000  1.0 3.0
   51    43    46    55   0.56750  1.0 1.0
   51    43    46    55  -0.07550 -1.0 2.0
   51    43    46    55   0.20000  1.0 3.0
   51    43    49    74   0.56750  1.0 1.0
   51    43    49    74  -0.07550 -1.0 2.0
   51    43    49    74   0.20000  1.0 3.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    58   0.56750  1.0 1.0
   51    43    49    58  -0.07550 -1.0 2.0
   51    43    49    58   0.20000  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   0.20800  1.0 3.0
   44    41    43    51   0.86500  1.0 1.0
   44    41    43    51  -0.17500 -1.0 2.0
   44    41    43    51   0.20800  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   59    68    67    70   1.10000 -1.0 2.0
   67    73    68    69  10.50000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
END
