* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    159    243     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02150    65.74977  -102.48831
    3     1 S   H    _H1_     3     1.02109   105.35122     1.44807
    4     1 S   H    _H2_     4     1.02136    46.85143   102.94554
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.86348    96.85698   159.97798
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.52589   106.49529   179.94405
   38    37 S   HC   _H29    38     1.09084   115.13854   -65.73832
   39    33 S   CM   _C9_    77     1.52897   105.71926   -59.20931
   40    39 S   HC   _H30    78     1.09458   112.78016   -27.14916
   41    33 S   CT   _C22    83     1.53777   106.03646    65.33049
   42    41 S   HC   _H49    84     1.09879   111.89272   -66.26767
   43    41 S   HC   _H50    85     1.09661   111.29367    52.23206
   44    41 S   HC   _H51    86     1.09673   112.27325   173.43888
   45    37 S   CM   _C4_    39     1.34547   127.36546   115.81503
   46    45 S   HC   _H25    40     1.08392   119.46304    -0.34492
   47    39 S   CMA  _C11    79     1.35518   131.76065   153.73589
   48    47 S   OM   _O21    80     1.26232   128.50354   179.97202
   49    45 S   CM   _C5_    41     1.45061   122.72341   179.32334
   50    49 S   HC   _H26    42     1.09074   114.06278     0.05595
   51    47 S   OH   _O23    81     1.41123   110.61849    -0.36744
   52    51 S   HO   _H52    82     0.97352   105.24304  -179.97202
   53    49 S   CM   _C10    43     1.35047   128.48180   179.93147
   54    53 S   CM   _C6_    44     1.46203   124.13063  -180.00000
   55    54 S   HC   _H27    45     1.08636   117.11971    -0.02798
   56    53 S   CT   _C18    73     1.51162   118.46381     0.23070
   57    56 S   HC   _H37    74     1.09583   112.42746    89.89104
   58    56 S   HC   _H38    75     1.09595   110.71531   -29.53879
   59    56 S   HC   _H39    76     1.09534   110.76562  -150.57736
   60    54 S   CM   _C7_    46     1.34532   126.72495  -179.93744
   61    60 S   HC   _H28    47     1.08613   120.04926     0.00000
   62    60 S   C3T  _C15    48     1.47597   125.11822   179.84174
   63    62 S   CT   _C16    49     1.51319   115.64953    90.04816
   64    62 S   O3T  _O22    60     1.43052   117.75720   -52.94489
   65    63 S   CT   _C13    50     1.54995   111.49549   166.70435
   66    65 S   HC   _H33    51     1.09739   110.45006  -169.07942
   67    65 S   HC   _H34    52     1.09853   109.89950    74.18696
   68    63 S   CT   _C19    65     1.53973   109.45289   -72.63437
   69    68 S   HC   _H40    66     1.08381   108.98046    57.79840
   70    68 S   HC   _H41    67     1.08364   108.96053   -62.15322
   71    68 S   HC   _H42    68     1.08314   108.95019   177.79415
   72    63 S   CT   _C20    69     1.54255   108.58725    45.31010
   73    72 S   HC   _H43    70     1.08191   108.71416   -57.73105
   74    72 S   HC   _H44    71     1.08136   108.70445  -177.71227
   75    72 S   HC   _H45    72     1.08177   108.73579    62.26683
   76    65 S   CT   _C12    53     1.52999   112.65832   -46.51214
   77    76 S   HC   _H31    54     1.09637   109.57308  -175.84593
   78    76 S   HC   _H32    55     1.09538   110.11959   -58.99389
   79    76 S   CT   _C14    56     1.52644   111.53494    63.21826
   80    79 S   HC   _H35    57     1.09685   109.53075    74.99524
   81    79 S   HC   _H36    58     1.09713   108.37585  -169.36190
   82    62 S   C3T  _C17    59     1.50928   116.26494  -119.54369
   83    82 S   CT   _C21    61     1.49287   120.71138    10.33969
   84    83 S   HC   _H46    62     1.10149   111.52288    15.48763
   85    83 S   HC   _H47    63     1.10026   111.53932  -104.52814
   86    83 S   HC   _H48    64     1.10135   111.47365   135.42898
  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  11   5   4   3
  14   2   1   1  13   5  10   4   5   2   1   1   6   3   3   2
   9   3   1   1   9  11   4   4   2   1   1  10   4  22  18  12
  17   7   6   9   3   2   1   5   2   1   1   7   5   4   7   3
   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    39    40    47    48    51    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    53    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    51    52    41    42    43    44    45  
   47    48    51    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    49    50    53    54    56  
   49    50    53  
   48    51    52  
   51    52  
   50    53    54    55    60    56    57    58    59  
   53    54    56  
   52  
    0  
   54    55    60    61    62    56    57    58    59  
   55    60    61    62    63    82    64    56    57    58    59  
   60    61    62    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    79    82    64    83    68    72  
   62    63    82    64  
   63    65    66    67    76    79    80    81    82    64    83    84    85    86    68    69    70    71    72    73    74    75  
   65    66    67    76    77    78    79    82    64    83    68    69    70    71    72    73    74    75  
   83    84    85    86    68    72    65    76    79    80    81    82  
   66    67    76    77    78    79    80    81    82    68    69    70    71    72    73    74    75  
   67    76    77    78    79    68    72  
   76    77    78    79    68    72  
   69    70    71    72    73    74    75    76    82  
   70    71    72  
   71    72  
   72  
   73    74    75    76    82  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83    84    85    86  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    49   380.000  1.444
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    54   380.000  1.444
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    60   549.000  1.340
   60    61   340.000  1.080
   60    62   305.000  1.480
   62    63   275.000  1.510
   62    82   260.000  1.509
   62    64   335.000  1.432
   63    65   268.000  1.529
   63    68   268.000  1.529
   63    72   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   275.000  1.510
   82    64   335.000  1.432
   82    83   275.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    51   510.000  1.338
   51    52   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    49    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    53    70.00000  123.01800
   49    45    46    35.00000  120.00000
   49    53    54    70.00000  123.01800
   49    53    56    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    54    55    35.00000  120.00000
   53    54    60    70.00000  123.01800
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   54    60    61    35.00000  120.00000
   54    60    62    55.00000  125.06700
   60    54    55    35.00000  120.00000
   60    62    63    65.00000  117.55000
   60    62    82    60.00000  120.58800
   60    62    64    85.00000  114.23300
   62    60    61    40.00000  117.24000
   62    63    65    70.00000  112.37300
   62    63    68    70.00000  112.37300
   62    63    72    70.00000  112.37300
   62    82    79    60.00000  120.94000
   62    82    64    15.00000   60.43100
   62    82    83    60.00000  120.94000
   62    64    82    15.00000   59.14900
   63    65    66    37.50000  110.70000
   63    65    67    37.50000  110.70000
   63    65    76    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   63    72    73    37.50000  110.70000
   63    72    74    37.50000  110.70000
   63    72    75    37.50000  110.70000
   65    76    77    37.50000  110.70000
   65    76    78    37.50000  110.70000
   65    76    79    58.35000  112.70000
   67    65    66    33.00000  107.80000
   76    65    66    37.50000  110.70000
   76    65    67    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    70.00000  112.37300
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    64    80.00000  116.47100
   79    82    83    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    62    63    60.00000  120.94000
   82    79    80    45.00000  109.38400
   82    79    81    45.00000  109.38400
   82    83    84    45.00000  109.38400
   82    83    85    45.00000  109.38400
   82    83    86    45.00000  109.38400
   64    62    63    80.00000  116.47100
   64    62    82    15.00000   60.43100
   83    82    64    80.00000  116.47100
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    63    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    63    65    58.35000  112.70000
   72    63    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    51    80.00000  121.38400
   47    39    40    40.00000  120.50800
   47    51    52    70.00000  107.45700
   51    47    48   115.00000  116.36000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    51   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50  -0.18600  1.0 3.0
   37    45    49    53   0.28850  1.0 1.0
   37    45    49    53   2.61350 -1.0 2.0
   37    45    49    53   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    53    54   7.00000 -1.0 2.0
   45    49    53    56   7.00000 -1.0 2.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    53  -0.18600  1.0 3.0
   49    53    54    55  -0.18600  1.0 3.0
   49    53    54    60   0.28850  1.0 1.0
   49    53    54    60   2.61350 -1.0 2.0
   49    53    54    60   0.78400  1.0 3.0
   49    53    56    57   0.00000  1.0 1.0
   49    53    56    58   0.00000  1.0 1.0
   49    53    56    59   0.00000  1.0 1.0
   50    49    53    54   7.00000 -1.0 2.0
   50    49    53    56   7.00000 -1.0 2.0
   53    54    60    61   7.00000 -1.0 2.0
   53    54    60    62   7.00000 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    59   0.00000  1.0 1.0
   54    60    62    63   0.09850  1.0 1.0
   54    60    62    63   0.15250 -1.0 2.0
   54    60    62    63  -0.50650  1.0 3.0
   54    60    62    82   0.09850  1.0 1.0
   54    60    62    82   0.15250 -1.0 2.0
   54    60    62    82  -0.50650  1.0 3.0
   54    60    62    64   0.39000  1.0 1.0
   54    60    62    64  -0.05800 -1.0 2.0
   54    60    62    64  -0.55150  1.0 3.0
   55    54    60    61   7.00000 -1.0 2.0
   55    54    60    62   7.00000 -1.0 2.0
   60    62    63    65   0.34400  1.0 1.0
   60    62    63    65   0.09450 -1.0 2.0
   60    62    63    65   0.11100  1.0 3.0
   60    62    63    68   0.34400  1.0 1.0
   60    62    63    68   0.09450 -1.0 2.0
   60    62    63    68   0.11100  1.0 3.0
   60    62    63    72   0.34400  1.0 1.0
   60    62    63    72   0.09450 -1.0 2.0
   60    62    63    72   0.11100  1.0 3.0
   60    62    82    79   0.34400  1.0 1.0
   60    62    82    79   0.09450 -1.0 2.0
   60    62    82    79   0.11100  1.0 3.0
   60    62   -82    64   0.61850  1.0 1.0
   60    62   -82    64  -0.22750 -1.0 2.0
   60    62   -82    64   0.15300  1.0 3.0
   60    62    82    83   0.34400  1.0 1.0
   60    62    82    83   0.09450 -1.0 2.0
   60    62    82    83   0.11100  1.0 3.0
   60    62   -64    82  -0.77900  1.0 1.0
   60    62   -64    82  -0.36900 -1.0 2.0
   60    62   -64    82   0.40400  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    82   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   62    63    65    66   0.15000  1.0 3.0
   62    63    65    67   0.15000  1.0 3.0
   62    63    65    76   0.47050  1.0 1.0
   62    63    65    76   0.03900 -1.0 2.0
   62    63    65    76   0.20100  1.0 3.0
   62    63    68    69   0.15000  1.0 3.0
   62    63    68    70   0.15000  1.0 3.0
   62    63    68    71   0.15000  1.0 3.0
   62    63    72    73   0.15000  1.0 3.0
   62    63    72    74   0.15000  1.0 3.0
   62    63    72    75   0.15000  1.0 3.0
   62    82    83    84   0.15000  1.0 3.0
   62    82    83    85   0.15000  1.0 3.0
   62    82    83    86   0.15000  1.0 3.0
   63    62    82    79   0.56750  1.0 1.0
   63    62    82    79  -0.07550 -1.0 2.0
   63    62    82    79   0.20000  1.0 3.0
   63    62   -82    64   0.02550  1.0 1.0
   63    62   -82    64  -0.02600 -1.0 2.0
   63    62   -82    64   1.20400  1.0 3.0
   63    62    82    83   0.56750  1.0 1.0
   63    62    82    83  -0.07550 -1.0 2.0
   63    62    82    83   0.20000  1.0 3.0
   63    62   -64    82   0.06250  1.0 1.0
   63    62   -64    82  -0.01100 -1.0 2.0
   63    62   -64    82   0.28050  1.0 3.0
   63    65    76    77   0.15000  1.0 3.0
   63    65    76    78   0.15000  1.0 3.0
   63    65   -76    79   0.56750  1.0 1.0
   63    65   -76    79  -0.07550 -1.0 2.0
   63    65   -76    79   0.20000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    71   0.15000  1.0 3.0
   65    63    72    73   0.15000  1.0 3.0
   65    63    72    74   0.15000  1.0 3.0
   65    63    72    75   0.15000  1.0 3.0
   65    76    79    80   0.15000  1.0 3.0
   65    76    79    81   0.15000  1.0 3.0
   65    76    79    82   0.47050  1.0 1.0
   65    76    79    82   0.03900 -1.0 2.0
   65    76    79    82   0.20100  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    78   0.15000  1.0 3.0
   66    65    76    79   0.15000  1.0 3.0
   67    65    76    77   0.15000  1.0 3.0
   67    65    76    78   0.15000  1.0 3.0
   67    65    76    79   0.15000  1.0 3.0
   76    79   -82    62   0.07850  1.0 1.0
   76    79   -82    62  -0.03950 -1.0 2.0
   76    79   -82    62   0.67350  1.0 3.0
   76    79    82    64   0.02550  1.0 1.0
   76    79    82    64  -0.02600 -1.0 2.0
   76    79    82    64   1.20400  1.0 3.0
   76    79    82    83   0.56750  1.0 1.0
   76    79    82    83  -0.07550 -1.0 2.0
   76    79    82    83   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82   -64    62   0.06250  1.0 1.0
   79    82   -64    62  -0.01100 -1.0 2.0
   79    82   -64    62   0.28050  1.0 3.0
   79    82    83    84   0.15000  1.0 3.0
   79    82    83    85   0.15000  1.0 3.0
   79    82    83    86   0.15000  1.0 3.0
   80    79    82    62   0.15000  1.0 3.0
   80    79    82    64   0.23400  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   81    79    82    62   0.15000  1.0 3.0
   81    79    82    64   0.23400  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   82    62   -63    65   0.07850  1.0 1.0
   82    62   -63    65  -0.03950 -1.0 2.0
   82    62   -63    65   0.67350  1.0 3.0
   82    62    63    68   0.07850  1.0 1.0
   82    62    63    68  -0.03950 -1.0 2.0
   82    62    63    68   0.67350  1.0 3.0
   82    62    63    72   0.07850  1.0 1.0
   82    62    63    72  -0.03950 -1.0 2.0
   82    62    63    72   0.67350  1.0 3.0
   64    62    63    65   0.02550  1.0 1.0
   64    62    63    65  -0.02600 -1.0 2.0
   64    62    63    65   1.20400  1.0 3.0
   64    62    63    68   0.02550  1.0 1.0
   64    62    63    68  -0.02600 -1.0 2.0
   64    62    63    68   1.20400  1.0 3.0
   64    62    63    72   0.02550  1.0 1.0
   64    62    63    72  -0.02600 -1.0 2.0
   64    62    63    72   1.20400  1.0 3.0
   64    62   -82    79   0.02550  1.0 1.0
   64    62   -82    79  -0.02600 -1.0 2.0
   64    62   -82    79   1.20400  1.0 3.0
   64    62   -82    83   0.02550  1.0 1.0
   64    62   -82    83  -0.02600 -1.0 2.0
   64    62   -82    83   1.20400  1.0 3.0
   64    82    83    84   0.23400  1.0 3.0
   64    82    83    85   0.23400  1.0 3.0
   64    82    83    86   0.23400  1.0 3.0
   83    82   -64    62   0.06250  1.0 1.0
   83    82   -64    62  -0.01100 -1.0 2.0
   83    82   -64    62   0.28050  1.0 3.0
   68    63    65    66   0.15000  1.0 3.0
   68    63    65    67   0.15000  1.0 3.0
   68    63    65    76   0.56750  1.0 1.0
   68    63    65    76  -0.07550 -1.0 2.0
   68    63    65    76   0.20000  1.0 3.0
   68    63    72    73   0.15000  1.0 3.0
   68    63    72    74   0.15000  1.0 3.0
   68    63    72    75   0.15000  1.0 3.0
   72    63    65    66   0.15000  1.0 3.0
   72    63    65    67   0.15000  1.0 3.0
   72    63    65    76   0.56750  1.0 1.0
   72    63    65    76  -0.07550 -1.0 2.0
   72    63    65    76   0.20000  1.0 3.0
   72    63    68    69   0.15000  1.0 3.0
   72    63    68    70   0.15000  1.0 3.0
   72    63    68    71   0.15000  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    60  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    47    51    52  -0.66100  1.0 1.0
   39    47    51    52   1.20850 -1.0 2.0
   39    47    51    52  -0.36000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    51   7.00000 -1.0 2.0
   48    47    51    52   2.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   49    46    45    37  15.00000 -1.0 2.0
   45    50    49    53  15.00000 -1.0 2.0
   54    56    53    49  15.00000 -1.0 2.0
   53    55    54    60  15.00000 -1.0 2.0
   62    61    60    54  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    51    47    39  15.00000 -1.0 2.0
END
