* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    146    235     439
    1     0 S   NP   _N1_     1    29.01654    96.65835   -24.32760
    2     1 S   H    _HN1     2     1.02823    37.24783   174.96865
    3     1 S   H    _H1_     3     1.02784   112.97199   -95.32796
    4     1 S   H    _H2_     4     1.02951    70.58689     7.01023
    5     1 S   CT   _CA1     5     1.50143   131.48045   107.41329
    6     5 S   HC   _HA1     6     1.09578   105.14573    95.98659
    7     5 S   CO3  _C1_     7     1.53777   112.49801   -24.10472
    8     7 S   O2Z  _O11     8     1.26371   115.00554   -40.95046
    9     7 S   O2Z  _O12     9     1.26248   114.94698   138.02910
   10     5 S   CT   _CB1    10     1.53065   107.37174  -146.11842
   11    10 S   HC   HB11    11     1.09835   109.23604   -49.93181
   12    10 S   HC   HB12    12     1.09812   110.48502    66.63656
   13    10 S   CT   _CG1    13     1.52991   112.68264  -170.94844
   14    13 S   HC   HG11    14     1.09580   110.60807   -67.69037
   15    13 S   HC   HG12    15     1.09675   109.79321    51.55257
   16    13 S   C    _CD1    16     1.51809   112.19777   171.87138
   17    16 S   O    _OE1    17     1.22735   123.28633     6.93907
   18    16 S   N    _N2_    18     1.38674   111.69554  -172.72463
   19    18 S   H    _HN2    19     1.01564   118.96213     1.29483
   20    18 S   CT1  _CA2    20     1.46092   123.34890   177.14288
   21    20 S   HC   _HA2    21     1.09594   109.28814     6.34866
   22    20 S   C    _C2_    22     1.53646   109.02937  -108.83265
   23    22 S   O    _O2_    23     1.23090   122.16411  -149.42105
   24    20 S   CT   _CB2    32     1.53281   111.67115   128.78720
   25    24 S   HC   HB21    33     1.09653   109.72366    61.28061
   26    24 S   HC   HB22    34     1.09571   110.92657   178.65477
   27    22 S   N    _N3_    24     1.38294   113.90829    38.09557
   28    27 S   H    _HN3    25     1.01558   119.61414    -3.24432
   29    24 S   S    _SG2    35     1.82791   114.61391   -58.72884
   30    27 S   CT   _CA3    26     1.45284   123.23996   177.11588
   31    30 S   HC   HA31    27     1.09549   107.51538   -64.49508
   32    30 S   HC   HA32    28     1.09556   107.98279    51.94744
   33    29 S   CT   _C18    36     1.84369    99.86030   -64.38911
   34    33 S   HC   _H3_    37     1.09286   105.85888   -42.63891
   35    33 S   HC   _H4_    38     1.09787   106.93515    70.55301
   36    30 S   CO3  _C3_    29     1.52966   114.07414   173.94531
   37    36 S   O2Z  _O31    30     1.26377   116.07690    -0.54500
   38    36 S   O2Z  _O32    31     1.26427   114.41024   179.51021
   39    33 S   CT   _C14    39     1.57616   115.76301  -166.30801
   40    39 S   OM   _O16    40     1.31755   105.75138   -69.65641
   41    39 S   CT   _C10    41     1.54461   114.11562    53.50403
   42    41 S   HC   _H28    42     1.09483   114.08116   -52.50791
   43    41 S   CT   _C11    43     1.53629   102.35796    66.99608
   44    43 S   HC   _H29    44     1.09630   109.86401   -82.31396
   45    41 S   OS   _O18    65     1.43746   111.32479  -172.00309
   46    43 S   CT   _C7_    45     1.53963   104.58514    34.59359
   47    46 S   HC   _H24    46     1.08872   111.52778   124.03952
   48    46 S   HC   _H25    47     1.09730   108.79109  -120.61146
   49    43 S   OH   _O20    75     1.41484   113.13885   158.41985
   50    49 S   HO   _H41    76     0.97207   107.44261  -176.36407
   51    39 S   CT   _C12    48     1.59423   113.22640   164.03691
   52    51 S   CT   _C13    49     1.63524   113.68195   174.58297
   53    51 S   CT   _C16    71     1.54119   112.65941    44.78748
   54    53 S   HC   _H33    72     1.09350   111.70278    61.31825
   55    53 S   HC   _H34    73     1.09530   111.79708   -58.21972
   56    53 S   HC   _H35    74     1.09274   112.11572  -176.63908
   57    52 S   CT   _C8_    50     1.56342   107.73911    51.94937
   58    57 S   HC   _H26    51     1.09631   108.34157    83.14539
   59    52 S   CT   _C17    66     1.58131   109.99098   170.87221
   60    59 S   HC   _H36    67     1.09330   111.28978    62.75446
   61    59 S   HC   _H37    68     1.08977   112.25977   -57.61367
   62    57 S   CM   _C4_    52     1.50420   115.84507  -159.06721
   63    62 S   HC   _H23    53     1.08868   114.96355  -167.67126
   64    59 S   OH   _O21    69     1.42347   113.25011  -176.82239
   65    64 S   HO   _H42    70     0.97238   107.17598  -176.93216
   66    62 S   CM   _C5_    54     1.33927   126.59553    11.50309
   67    66 S   CO4  _C6_    55     1.48771   118.49702     1.48438
   68    67 S   O    _O17    56     1.23166   120.07021  -170.97226
   69    66 S   CT   _C15    61     1.49513   123.66089  -177.81986
   70    69 S   HC   _H30    62     1.09489   110.50117   118.39112
   71    69 S   HC   _H31    63     1.09513   111.94860    -1.58053
   72    69 S   HC   _H32    64     1.09491   110.42592  -121.47813
   73    52 S   CT   _C9_    57     1.56641   113.88647   -69.26110
   74    73 S   HC   _H27    58     1.08753   112.88958    50.33085
   75    73 S   OH   _O19    59     1.42432   111.23704   -69.65613
   76    75 S   HO   _H40    60     0.97298   107.18916   175.78253
  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
  12   5   4   2   1   1  19   8  15   7  11   7  11  13   5   4
   2   1  16  20   6   2   1   1  13   5   9   4   3   9   3   2
   1   9   9   4   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46    51    52    45    53  
   35    39    40    41    51  
   39    40    41    51  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    48    51    52    57    73    45    59    53    54    55    56    49  
   41    42    43    46    51    52    45    53  
   42    43    44    46    47    48    51    52    57    58    62    45    53    49    50  
   43    44    46    51    57    45    49  
   44    46    47    48    51    52    57    45    53    49    50  
   46    47    48    51    45    49    50  
   59    49    46    51    52    57    58    62    63    66    73  
   47    48    51    52    57    73    59    53    54    55    56    49    50  
   48    51    52    53    49  
   51    52    53    49  
   50    51  
    0  
   52    57    58    62    67    73    74    75    59    60    61    64    53    54    55    56  
   57    58    62    63    66    67    68    73    74    75    76    59    60    61    64    65    53    54    55    56  
   54    55    56    57    59    73  
   55    56  
   56  
    0  
   58    62    63    66    67    73    74    75    69    59    60    61    64  
   62    63    66    73    59  
   60    61    64    65    62    67    73    74    75  
   61    64    65    73  
   64    65    73  
   63    66    67    68    73    69    70    71    72  
   66    67    69  
   65    73  
    0  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    76    69    70    71    72  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76  
   75    76  
   76  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    51   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   268.000  1.529
   51    53   268.000  1.529
   52    57   268.000  1.529
   52    73   268.000  1.529
   52    59   268.000  1.529
   57    58   340.000  1.090
   57    62   317.000  1.510
   57    45   320.000  1.410
   62    63   340.000  1.080
   62    66   549.000  1.340
   66    67   320.000  1.462
   66    69   317.000  1.510
   67    68   570.000  1.229
   67    73   317.000  1.522
   73    74   340.000  1.090
   73    75   320.000  1.410
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   320.000  1.410
   64    65   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   49    50   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    51    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    51    46    58.35000  112.70000
   39    51    52    58.35000  112.70000
   39    51    53    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    57    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    51    58.35000  112.70000
   43    49    50    55.00000  108.50000
   46    43    44    37.50000  110.70000
   46    51    52    58.35000  112.70000
   46    51    53    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    39    40    50.00000  109.50000
   51    39    41    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    57    58.35000  112.70000
   51    52    73    58.35000  112.70000
   51    52    59    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    62    70.00000  112.02700
   52    57    45    50.00000  109.50000
   52    73    67    63.00000  111.10000
   52    73    74    37.50000  110.70000
   52    73    75    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    64    50.00000  109.50000
   57    62    63    35.00000  117.00000
   57    62    66    70.00000  124.00000
   62    57    58    35.00000  109.50000
   62    66    67    65.00000  118.96000
   62    66    69    70.00000  124.00000
   66    62    63    35.00000  120.00000
   66    67    68    80.00000  123.72100
   66    67    73    65.00000  118.62400
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    74    35.00000  109.50000
   67    73    75    90.00000  109.61100
   73    52    57    58.35000  112.70000
   73    67    68    80.00000  120.40000
   73    75    76    55.00000  108.50000
   75    73    74    35.00000  109.50000
   69    66    67    65.00000  116.34900
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
   45    57    58    35.00000  109.50000
   45    57    62    85.00000  110.90400
   59    52    57    58.35000  112.70000
   59    52    73    58.35000  112.70000
   59    64    65    55.00000  108.50000
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   53    51    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   49    43    44    35.00000  109.50000
   49    43    46    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.62750  1.0 1.0
   33    39    41    45  -0.30950 -1.0 2.0
   33    39    41    45   0.27300  1.0 3.0
   33    39    51    46   0.56750  1.0 1.0
   33    39    51    46  -0.07550 -1.0 2.0
   33    39    51    46   0.20000  1.0 3.0
   33    39    51    52   0.56750  1.0 1.0
   33    39    51    52  -0.07550 -1.0 2.0
   33    39    51    52   0.20000  1.0 3.0
   33    39    51    53   0.56750  1.0 1.0
   33    39    51    53  -0.07550 -1.0 2.0
   33    39    51    53   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    51   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    51   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    46   0.56750  1.0 1.0
   39    41   -43    46  -0.07550 -1.0 2.0
   39    41   -43    46   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    57   0.06250  1.0 1.0
   39    41    45    57  -0.01100 -1.0 2.0
   39    41    45    57   0.28050  1.0 3.0
   39    51   -52    57   0.56750  1.0 1.0
   39    51   -52    57  -0.07550 -1.0 2.0
   39    51   -52    57   0.20000  1.0 3.0
   39    51    52    73   0.56750  1.0 1.0
   39    51    52    73  -0.07550 -1.0 2.0
   39    51    52    73   0.20000  1.0 3.0
   39    51    52    59   0.56750  1.0 1.0
   39    51    52    59  -0.07550 -1.0 2.0
   39    51    52    59   0.20000  1.0 3.0
   39    51    53    54   0.15000  1.0 3.0
   39    51    53    55   0.15000  1.0 3.0
   39    51    53    56   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.62750  1.0 1.0
   40    39    41    43  -0.30950 -1.0 2.0
   40    39    41    43   0.27300  1.0 3.0
   40    39    41    45   1.11900  1.0 1.0
   40    39    41    45  -1.16350 -1.0 2.0
   40    39    41    45  -0.34150  1.0 3.0
   40    39    51    46   0.62750  1.0 1.0
   40    39    51    46  -0.30950 -1.0 2.0
   40    39    51    46   0.27300  1.0 3.0
   40    39    51    52   0.62750  1.0 1.0
   40    39    51    52  -0.30950 -1.0 2.0
   40    39    51    52   0.27300  1.0 3.0
   40    39    51    53   0.62750  1.0 1.0
   40    39    51    53  -0.30950 -1.0 2.0
   40    39    51    53   0.27300  1.0 3.0
   41    39   -51    46   0.56750  1.0 1.0
   41    39   -51    46  -0.07550 -1.0 2.0
   41    39   -51    46   0.20000  1.0 3.0
   41    39    51    52   0.56750  1.0 1.0
   41    39    51    52  -0.07550 -1.0 2.0
   41    39    51    52   0.20000  1.0 3.0
   41    39    51    53   0.56750  1.0 1.0
   41    39    51    53  -0.07550 -1.0 2.0
   41    39    51    53   0.20000  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    51   0.56750  1.0 1.0
   41    43   -46    51  -0.07550 -1.0 2.0
   41    43   -46    51   0.20000  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    57   0.37050  1.0 3.0
   43    41    45    57   0.06250  1.0 1.0
   43    41    45    57  -0.01100 -1.0 2.0
   43    41    45    57   0.28050  1.0 3.0
   43    46   -51    39   0.56750  1.0 1.0
   43    46   -51    39  -0.07550 -1.0 2.0
   43    46   -51    39   0.20000  1.0 3.0
   43    46    51    52   0.56750  1.0 1.0
   43    46    51    52  -0.07550 -1.0 2.0
   43    46    51    52   0.20000  1.0 3.0
   43    46    51    53   0.56750  1.0 1.0
   43    46    51    53  -0.07550 -1.0 2.0
   43    46    51    53   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   46    43    49    50  -0.11600  1.0 1.0
   46    43    49    50  -0.09450 -1.0 2.0
   46    43    49    50   0.21250  1.0 3.0
   46    51    52    57   0.56750  1.0 1.0
   46    51    52    57  -0.07550 -1.0 2.0
   46    51    52    57   0.20000  1.0 3.0
   46    51    52    73   0.56750  1.0 1.0
   46    51    52    73  -0.07550 -1.0 2.0
   46    51    52    73   0.20000  1.0 3.0
   46    51    52    59   0.56750  1.0 1.0
   46    51    52    59  -0.07550 -1.0 2.0
   46    51    52    59   0.20000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    55   0.15000  1.0 3.0
   46    51    53    56   0.15000  1.0 3.0
   47    46    51    39   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   48    46    51    39   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   51    39    41    42   0.15000  1.0 3.0
   51    39   -41    43   0.56750  1.0 1.0
   51    39   -41    43  -0.07550 -1.0 2.0
   51    39   -41    43   0.20000  1.0 3.0
   51    39    41    45   0.62750  1.0 1.0
   51    39    41    45  -0.30950 -1.0 2.0
   51    39    41    45   0.27300  1.0 3.0
   51    52    57    58   0.15000  1.0 3.0
   51    52    57    62   0.34400  1.0 1.0
   51    52    57    62   0.09450 -1.0 2.0
   51    52    57    62   0.11100  1.0 3.0
   51    52   -57    45   0.62750  1.0 1.0
   51    52   -57    45  -0.30950 -1.0 2.0
   51    52   -57    45   0.27300  1.0 3.0
   51    52    73    67  -0.95700  1.0 1.0
   51    52    73    67  -0.18200 -1.0 2.0
   51    52    73    67   0.29450  1.0 3.0
   51    52    73    74   0.15000  1.0 3.0
   51    52    73    75   0.86500  1.0 1.0
   51    52    73    75  -0.17500 -1.0 2.0
   51    52    73    75   0.20800  1.0 3.0
   51    52    59    60   0.15000  1.0 3.0
   51    52    59    61   0.15000  1.0 3.0
   51    52    59    64   0.86500  1.0 1.0
   51    52    59    64  -0.17500 -1.0 2.0
   51    52    59    64   0.20800  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    57    62    63   0.00000  1.0 1.0
   52    57    62    66   0.09850  1.0 1.0
   52    57    62    66   0.15250 -1.0 2.0
   52    57    62    66  -0.50650  1.0 3.0
   52    57   -45    41   0.06250  1.0 1.0
   52    57   -45    41  -0.01100 -1.0 2.0
   52    57   -45    41   0.28050  1.0 3.0
   52    73    75    76  -0.11600  1.0 1.0
   52    73    75    76  -0.09450 -1.0 2.0
   52    73    75    76   0.21250  1.0 3.0
   52    59    64    65  -0.11600  1.0 1.0
   52    59    64    65  -0.09450 -1.0 2.0
   52    59    64    65   0.21250  1.0 3.0
   57    52    73    67  -0.95700  1.0 1.0
   57    52    73    67  -0.18200 -1.0 2.0
   57    52    73    67   0.29450  1.0 3.0
   57    52    73    74   0.15000  1.0 3.0
   57    52    73    75   0.86500  1.0 1.0
   57    52    73    75  -0.17500 -1.0 2.0
   57    52    73    75   0.20800  1.0 3.0
   57    52    59    60   0.15000  1.0 3.0
   57    52    59    61   0.15000  1.0 3.0
   57    52    59    64   0.86500  1.0 1.0
   57    52    59    64  -0.17500 -1.0 2.0
   57    52    59    64   0.20800  1.0 3.0
   57    62   -66    67   7.00000 -1.0 2.0
   57    62    66    69   7.00000 -1.0 2.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    66   0.00000  1.0 1.0
   58    57    45    41   0.37050  1.0 3.0
   62    57    45    41  -0.77900  1.0 1.0
   62    57    45    41  -0.36900 -1.0 2.0
   62    57    45    41   0.40400  1.0 3.0
   62    66    67    68   1.00000 -1.0 2.0
   62    66    67    73  -0.33500  1.0 1.0
   62    66    67    73   1.06600 -1.0 2.0
   62    66    67    73  -0.14000  1.0 3.0
   62    66    69    70   0.00000  1.0 1.0
   62    66    69    71   0.00000  1.0 1.0
   62    66    69    72   0.00000  1.0 1.0
   63    62    66    67   7.00000 -1.0 2.0
   63    62    66    69   7.00000 -1.0 2.0
   66    67   -73    52   0.65300  1.0 1.0
   66    67   -73    52  -0.03850 -1.0 2.0
   66    67   -73    52   0.33900  1.0 3.0
   66    67    73    74   0.00000  1.0 1.0
   66    67    73    75   0.65300  1.0 1.0
   66    67    73    75  -0.03850 -1.0 2.0
   66    67    73    75   0.33900  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    73    75    76   0.91850  1.0 1.0
   67    73    75    76   0.57950  1.0 3.0
   68    67    73    52   0.30150 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.30150 -1.0 2.0
   73    52    57    58   0.15000  1.0 3.0
   73    52   -57    62   0.34400  1.0 1.0
   73    52   -57    62   0.09450 -1.0 2.0
   73    52   -57    62   0.11100  1.0 3.0
   73    52    57    45   0.62750  1.0 1.0
   73    52    57    45  -0.30950 -1.0 2.0
   73    52    57    45   0.27300  1.0 3.0
   73    52    59    60   0.15000  1.0 3.0
   73    52    59    61   0.15000  1.0 3.0
   73    52    59    64   0.86500  1.0 1.0
   73    52    59    64  -0.17500 -1.0 2.0
   73    52    59    64   0.20800  1.0 3.0
   74    73    75    76   0.19450  1.0 3.0
   69    66    67    68  -0.64400  1.0 1.0
   69    66    67    68   0.26850 -1.0 2.0
   69    66    67    73   0.25700  1.0 1.0
   69    66    67    73   0.66200 -1.0 2.0
   69    66    67    73   0.04450  1.0 3.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    46   0.62750  1.0 1.0
   45    41    43    46  -0.30950 -1.0 2.0
   45    41    43    46   0.27300  1.0 3.0
   45    41    43    49   3.69350  1.0 1.0
   45    41    43    49  -1.82950 -1.0 2.0
   45    57    62    63   0.00000  1.0 1.0
   45    57    62    66   0.39000  1.0 1.0
   45    57    62    66  -0.05800 -1.0 2.0
   45    57    62    66  -0.55150  1.0 3.0
   59    52    57    58   0.15000  1.0 3.0
   59    52    57    62   0.34400  1.0 1.0
   59    52    57    62   0.09450 -1.0 2.0
   59    52    57    62   0.11100  1.0 3.0
   59    52    57    45   0.62750  1.0 1.0
   59    52    57    45  -0.30950 -1.0 2.0
   59    52    57    45   0.27300  1.0 3.0
   59    52    73    67  -0.95700  1.0 1.0
   59    52    73    67  -0.18200 -1.0 2.0
   59    52    73    67   0.29450  1.0 3.0
   59    52    73    74   0.15000  1.0 3.0
   59    52    73    75   0.86500  1.0 1.0
   59    52    73    75  -0.17500 -1.0 2.0
   59    52    73    75   0.20800  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   61    59    64    65   0.19450  1.0 3.0
   53    51    52    57   0.56750  1.0 1.0
   53    51    52    57  -0.07550 -1.0 2.0
   53    51    52    57   0.20000  1.0 3.0
   53    51    52    73   0.56750  1.0 1.0
   53    51    52    73  -0.07550 -1.0 2.0
   53    51    52    73   0.20000  1.0 3.0
   53    51    52    59   0.56750  1.0 1.0
   53    51    52    59  -0.07550 -1.0 2.0
   53    51    52    59   0.20000  1.0 3.0
   49    43    46    47   0.23400  1.0 3.0
   49    43    46    48   0.23400  1.0 3.0
   49    43    46    51   0.86500  1.0 1.0
   49    43    46    51  -0.17500 -1.0 2.0
   49    43    46    51   0.20800  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
   38    30    36    37  10.50000 -1.0 2.0
   57    63    62    66   1.10000 -1.0 2.0
   67    69    66    62   1.10000 -1.0 2.0
   66    73    67    68  10.50000 -1.0 2.0
END
