* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    161    243     472
    1     0 S   NP   _N1_     1    29.42941    94.77411   -25.20763
    2     1 S   H    _HN1     2     1.02831    27.79716  -178.82264
    3     1 S   H    _H1_     3     1.02785   115.36426   -98.62045
    4     1 S   H    _H2_     4     1.02955    79.40326     6.75334
    5     1 S   CT   _CA1     5     1.50120   124.80361   114.32120
    6     5 S   HC   _HA1     6     1.09574   105.22207    86.47531
    7     5 S   CO3  _C1_     7     1.53776   112.39875   -33.76363
    8     7 S   O2Z  _O11     8     1.26365   115.00491   -44.00653
    9     7 S   O2Z  _O12     9     1.26237   114.93220   135.11865
   10     5 S   CT   _CB1    10     1.53072   107.40858  -155.59671
   11    10 S   HC   HB11    11     1.09833   109.33533   -50.42678
   12    10 S   HC   HB12    12     1.09818   110.42670    66.12126
   13    10 S   CT   _CG1    13     1.53018   112.68304  -171.47907
   14    13 S   HC   HG11    14     1.09587   110.56189   -64.74647
   15    13 S   HC   HG12    15     1.09655   109.89850    54.51702
   16    13 S   C    _CD1    16     1.51778   112.18794   174.89838
   17    16 S   O    _OE1    17     1.22765   123.26349     2.81383
   18    16 S   N    _N2_    18     1.38604   111.80716  -177.39992
   19    18 S   H    _HN2    19     1.01576   119.16117     3.16273
   20    18 S   CT1  _CA2    20     1.45890   122.69775   177.32702
   21    20 S   HC   _HA2    21     1.09389   109.75265    15.94036
   22    20 S   C    _C2_    22     1.52687   104.86691  -100.26575
   23    22 S   O    _O2_    23     1.22949   122.82167   -91.10448
   24    20 S   CT   _CB2    32     1.53058   111.71649   139.63447
   25    24 S   HC   HB21    33     1.09667   109.97910    53.74343
   26    24 S   HC   HB22    34     1.09443   111.11928   170.95747
   27    22 S   N    _N3_    24     1.38475   112.65989    85.02117
   28    27 S   H    _HN3    25     1.01693   119.89300    -0.56093
   29    24 S   S    _SG2    35     1.83027   113.49298   -64.98319
   30    27 S   CT   _CA3    26     1.45253   122.59171  -178.88373
   31    30 S   HC   HA31    27     1.09566   107.44565   -60.95103
   32    30 S   HC   HA32    28     1.09546   108.06228    55.33696
   33    29 S   CT   _C23    36     1.83901   101.04604   -70.60227
   34    33 S   HC   _H3_    37     1.09185   106.89477    53.50595
   35    30 S   CO3  _C3_    29     1.52771   113.89989   176.67734
   36    35 S   O2Z  _O31    30     1.26361   115.79768   -23.29275
   37    35 S   O2Z  _O32    31     1.26395   114.65527   157.01721
   38    33 S   CM   _C9_    38     1.53218   111.34612   -68.83478
   39    33 S   CT   _C22    83     1.53189   108.57568   166.48264
   40    39 S   HC   _H49    84     1.09573   112.73320    57.60522
   41    39 S   HC   _H50    85     1.09642   110.83492   -63.10513
   42    39 S   HC   _H51    86     1.09610   110.52063   178.27036
   43    38 S   CMA  _C10    39     1.36843   123.01123   111.07473
   44    43 S   OM   _O21    40     1.26913   125.50334  -179.67135
   45    38 S   CT   _C19    79     1.52167   115.28911   -70.32143
   46    45 S   HC   _H40    80     1.09465   110.29544   -67.84481
   47    45 S   HC   _H41    81     1.09424   113.49043   172.17095
   48    45 S   HC   _H42    82     1.09412   111.04225    52.52652
   49    43 S   OS   _O23    41     1.41679   112.24427    -2.67927
   50    49 S   CT   _C16    42     1.44132   115.17832   127.96578
   51    50 S   HC   _H36    43     1.09641   111.31994    30.66831
   52    50 S   CT   _C12    44     1.53060   108.11974   -90.02460
   53    52 S   HC   _H30    45     1.09669   109.92679    62.19868
   54    52 S   HC   _H31    46     1.09828   109.81306   -53.58515
   55    50 S   CT   _C15    61     1.55197   108.45788   150.24700
   56    55 S   HC   _H35    62     1.10081   106.57528    54.97493
   57    52 S   CT   _C11    47     1.51889   111.57408  -176.08693
   58    57 S   HC   _H28    48     1.09684   109.68682   -65.65334
   59    57 S   HC   _H29    49     1.09689   108.72839   178.55166
   60    55 S   CT   _C20    63     1.53920   109.70820   -59.01623
   61    60 S   HC   _H43    64     1.09443   111.58290   -60.30424
   62    60 S   HC   _H44    65     1.09314   111.79000   178.13470
   63    60 S   HC   _H45    66     1.09517   110.94982    59.28436
   64    57 S   CM   _C5_    50     1.51030   111.61506    55.33559
   65    64 S   CM   _C4_    51     1.34369   119.32482   129.08569
   66    65 S   HC   _H25    52     1.08497   121.92114    -2.11526
   67    65 S   CO4  _C6_    53     1.48368   121.83275   174.29199
   68    67 S   O    _O22    54     1.22977   118.81799   176.97101
   69    67 S   CT   _C14    55     1.52356   117.34231    -7.65055
   70    69 S   HC   _H34    56     1.09799   105.76323   -79.49271
   71    69 S   CT   _C13    57     1.53408   109.35892    37.62870
   72    71 S   HC   _H32    58     1.09881   109.06817    63.73467
   73    71 S   HC   _H33    59     1.09714   108.96269   179.62102
   74    69 S   CM   _C8_    71     1.51915   110.83372   163.25227
   75    64 S   CT   _C17    60     1.53381   116.51049   -51.78216
   76    74 S   CM   _C7_    72     1.34381   120.93851   107.66269
   77    76 S   HC   _H26    73     1.08516   121.40767  -179.92087
   78    76 S   HC   _H27    74     1.08497   121.55253     0.03956
   79    74 S   CT   _C18    75     1.50384   118.61468   -72.02596
   80    79 S   HC   _H37    76     1.09305   110.32940   -70.40249
   81    79 S   HC   _H38    77     1.09429   110.95608    50.23654
   82    79 S   HC   _H39    78     1.09548   111.96440   170.02342
   83    75 S   CT   _C21    67     1.54678   108.30466   -74.23292
   84    83 S   HC   _H46    68     1.09535   111.47339  -170.58643
   85    83 S   HC   _H47    69     1.09451   112.23907    68.87332
   86    83 S   HC   _H48    70     1.09591   111.76652   -50.84206
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  11   6   5  17   8   9   4   3   7   3   2   1  13
   9   4  10   4  14   7  10   4   3   8   4   6   2   1   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    75    55    56    60  
   51    52    53    54    57    58    59    64    71    75    55    56    60    61    62    63    83  
   52    53    54    57    75    55    56    60  
   53    54    57    58    59    64    65    75    55    56    60  
   54    57    58    59    64    55  
   57    58    59    64    55  
   56    60    61    62    63    83    84    85    86    57    64    65    69    71    72    73    75  
   60    61    62    63    83    64    71    75  
   58    59    64    65    66    67    71    75    83  
   59    64    65    75  
   64    65    75  
   61    62    63    83    64    71    75  
   62    63    75  
   63    75  
   75  
   65    66    67    68    69    71    72    73    75    83    84    85    86  
   66    67    68    69    70    71    75    83    74  
   67    68    69    75  
   68    69    70    71    72    73    75    74    76    79  
   69    70    71    74  
   70    71    72    73    75    83    74    76    77    78    79    80    81    82  
   71    72    73    75    74    76    79  
   72    73    75    83    84    85    86    74    76    79  
   73    75    83    74  
   75    83    74  
   76    77    78    79    80    81    82    75  
   83    84    85    86  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   317.000  1.510
   64    65   549.000  1.340
   64    75   317.000  1.510
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    55   268.000  1.529
   75    83   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    76   549.000  1.340
   74    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    75    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    64    70.00000  112.02700
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    64    65    70.00000  124.00000
   57    64    75    65.00000  117.92700
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    65.00000  118.96000
   64    75    71    70.00000  112.02700
   64    75    55    70.00000  112.02700
   64    75    83    70.00000  112.02700
   65    67    68    80.00000  123.72100
   65    67    69    65.00000  118.62400
   67    65    66    40.00000  117.72500
   67    69    70    35.00000  109.50000
   67    69    71    63.00000  111.10000
   67    69    74    70.00000  109.06800
   69    67    68    80.00000  120.40000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    74    76    70.00000  124.00000
   69    74    79    65.00000  117.92700
   71    69    70    37.50000  110.70000
   71    75    55    58.35000  112.70000
   71    75    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   75    64    65    70.00000  124.00000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    55    56    37.50000  110.70000
   75    55    60    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   60    55    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   83    75    55    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    70.00000  112.02700
   74    76    77    35.00000  120.00000
   74    76    78    35.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    74    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    75   0.62750  1.0 1.0
   49    50    55    75  -0.30950 -1.0 2.0
   49    50    55    75   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    60   0.62750  1.0 1.0
   49    50    55    60  -0.30950 -1.0 2.0
   49    50    55    60   0.27300  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    64   0.34400  1.0 1.0
   50    52    57    64   0.09450 -1.0 2.0
   50    52    57    64   0.11100  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    63   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    75   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    75   0.56750  1.0 1.0
   52    50    55    75  -0.07550 -1.0 2.0
   52    50    55    75   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    60   0.56750  1.0 1.0
   52    50    55    60  -0.07550 -1.0 2.0
   52    50    55    60   0.20000  1.0 3.0
   52    57    64    65   0.09850  1.0 1.0
   52    57    64    65   0.15250 -1.0 2.0
   52    57    64    65  -0.50650  1.0 3.0
   52    57   -64    75   0.46850  1.0 1.0
   52    57   -64    75   0.08550 -1.0 2.0
   52    57   -64    75   0.09800  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    64   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    64   0.15000  1.0 3.0
   57    64    65    66   7.00000 -1.0 2.0
   57    64    65    67   7.00000 -1.0 2.0
   57    64    75    71   0.46850  1.0 1.0
   57    64    75    71   0.08550 -1.0 2.0
   57    64    75    71   0.09800  1.0 3.0
   57    64    75    55   0.46850  1.0 1.0
   57    64    75    55   0.08550 -1.0 2.0
   57    64    75    55   0.09800  1.0 3.0
   57    64    75    83   0.46850  1.0 1.0
   57    64    75    83   0.08550 -1.0 2.0
   57    64    75    83   0.09800  1.0 3.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    75   0.34800  1.0 3.0
   59    57    64    65   0.00000  1.0 1.0
   59    57    64    75   0.34800  1.0 3.0
   64    65    67    68   1.00000 -1.0 2.0
   64    65    67    69  -0.33500  1.0 1.0
   64    65    67    69   1.06600 -1.0 2.0
   64    65    67    69  -0.14000  1.0 3.0
   64    75   -55    50   0.34400  1.0 1.0
   64    75   -55    50   0.09450 -1.0 2.0
   64    75   -55    50   0.11100  1.0 3.0
   64    75    55    56   0.15000  1.0 3.0
   64    75    55    60   0.34400  1.0 1.0
   64    75    55    60   0.09450 -1.0 2.0
   64    75    55    60   0.11100  1.0 3.0
   64    75    83    84   0.15000  1.0 3.0
   64    75    83    85   0.15000  1.0 3.0
   64    75    83    86   0.15000  1.0 3.0
   65    64    75    71   0.09850  1.0 1.0
   65    64    75    71   0.15250 -1.0 2.0
   65    64    75    71  -0.50650  1.0 3.0
   65    64    75    55   0.09850  1.0 1.0
   65    64    75    55   0.15250 -1.0 2.0
   65    64    75    55  -0.50650  1.0 3.0
   65    64    75    83   0.09850  1.0 1.0
   65    64    75    83   0.15250 -1.0 2.0
   65    64    75    83  -0.50650  1.0 3.0
   65    67    69    70   0.00000  1.0 1.0
   65    67   -69    71   0.65300  1.0 1.0
   65    67   -69    71  -0.03850 -1.0 2.0
   65    67   -69    71   0.33900  1.0 3.0
   65    67    69    74   0.65300  1.0 1.0
   65    67    69    74  -0.03850 -1.0 2.0
   65    67    69    74   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.04550  1.0 1.0
   66    65    67    69   0.83000 -1.0 2.0
   66    65    67    69  -0.04000  1.0 3.0
   67    69    71    72  -0.11250  1.0 3.0
   67    69    71    73  -0.11250  1.0 3.0
   67    69    71    75  -0.95700  1.0 1.0
   67    69    71    75  -0.18200 -1.0 2.0
   67    69    71    75   0.29450  1.0 3.0
   67    69    74    76  -0.51250  1.0 1.0
   67    69    74    76  -0.88800 -1.0 2.0
   67    69    74    76   0.08850  1.0 3.0
   67    69    74    79   0.17250  1.0 1.0
   67    69    74    79  -0.04100 -1.0 2.0
   67    69    74    79  -0.33850  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.30150 -1.0 2.0
   68    67    69    74   0.30150 -1.0 2.0
   69    71   -75    64   0.34400  1.0 1.0
   69    71   -75    64   0.09450 -1.0 2.0
   69    71   -75    64   0.11100  1.0 3.0
   69    71    75    55   0.56750  1.0 1.0
   69    71    75    55  -0.07550 -1.0 2.0
   69    71    75    55   0.20000  1.0 3.0
   69    71    75    83   0.56750  1.0 1.0
   69    71    75    83  -0.07550 -1.0 2.0
   69    71    75    83   0.20000  1.0 3.0
   69    74    76    77   7.00000 -1.0 2.0
   69    74    76    78   7.00000 -1.0 2.0
   69    74    79    80   0.34800  1.0 3.0
   69    74    79    81   0.34800  1.0 3.0
   69    74    79    82   0.34800  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    74    76   0.00000  1.0 1.0
   70    69    74    79   0.34800  1.0 3.0
   71    69    74    76   0.09850  1.0 1.0
   71    69    74    76   0.15250 -1.0 2.0
   71    69    74    76  -0.50650  1.0 3.0
   71    69    74    79   0.46850  1.0 1.0
   71    69    74    79   0.08550 -1.0 2.0
   71    69    74    79   0.09800  1.0 3.0
   71    75    55    50   0.56750  1.0 1.0
   71    75    55    50  -0.07550 -1.0 2.0
   71    75    55    50   0.20000  1.0 3.0
   71    75    55    56   0.15000  1.0 3.0
   71    75    55    60   0.56750  1.0 1.0
   71    75    55    60  -0.07550 -1.0 2.0
   71    75    55    60   0.20000  1.0 3.0
   71    75    83    84   0.15000  1.0 3.0
   71    75    83    85   0.15000  1.0 3.0
   71    75    83    86   0.15000  1.0 3.0
   72    71    75    64   0.15000  1.0 3.0
   72    71    75    55   0.15000  1.0 3.0
   72    71    75    83   0.15000  1.0 3.0
   73    71    75    64   0.15000  1.0 3.0
   73    71    75    55   0.15000  1.0 3.0
   73    71    75    83   0.15000  1.0 3.0
   75    64    65    66   7.00000 -1.0 2.0
   75    64   -65    67   7.00000 -1.0 2.0
   75    55    60    61   0.15000  1.0 3.0
   75    55    60    62   0.15000  1.0 3.0
   75    55    60    63   0.15000  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50   -52    57   0.56750  1.0 1.0
   55    50   -52    57  -0.07550 -1.0 2.0
   55    50   -52    57   0.20000  1.0 3.0
   55    75    83    84   0.15000  1.0 3.0
   55    75    83    85   0.15000  1.0 3.0
   55    75    83    86   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   83    75    55    50   0.56750  1.0 1.0
   83    75    55    50  -0.07550 -1.0 2.0
   83    75    55    50   0.20000  1.0 3.0
   83    75    55    56   0.15000  1.0 3.0
   83    75    55    60   0.56750  1.0 1.0
   83    75    55    60  -0.07550 -1.0 2.0
   83    75    55    60   0.20000  1.0 3.0
   74    69    71    72   0.15000  1.0 3.0
   74    69    71    73   0.15000  1.0 3.0
   74    69    71    75   0.34400  1.0 1.0
   74    69    71    75   0.09450 -1.0 2.0
   74    69    71    75   0.11100  1.0 3.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    81   0.00000  1.0 1.0
   76    74    79    82   0.00000  1.0 1.0
   79    74    76    77   7.00000 -1.0 2.0
   79    74    76    78   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    75    64    65   1.10000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   69    79    74    76  15.00000 -1.0 2.0
   77    78    76    74  15.00000 -1.0 2.0
END
