* LIGAND DATABASE FILE (OPLS2005)
*
001      97   101    194    322     587
    1     0 S   NP   _N1_     1    28.71205    95.23145   -24.43473
    2     1 S   H    _HN1     2     1.02950    77.81412    16.58163
    3     1 S   H    _H1_     3     1.02828    31.16972   176.22711
    4     1 S   H    _H2_     4     1.02787   108.12524   -88.98955
    5     1 S   CT   _CA1     5     1.50109   132.88550   123.21681
    6     5 S   HC   _HA1     6     1.09572   105.20411    85.47779
    7     5 S   CO3  _C1_     7     1.53796   112.46276   -34.78557
    8     7 S   O2Z  _O11     8     1.26374   115.01013   -42.61885
    9     7 S   O2Z  _O12     9     1.26240   114.95131   136.54103
   10     5 S   CT   _CB1    10     1.53079   107.42110  -156.51744
   11    10 S   HC   HB11    11     1.09833   109.40575   -49.57349
   12    10 S   HC   HB12    12     1.09813   110.43460    67.04532
   13    10 S   CT   _CG1    13     1.52983   112.59137  -170.54179
   14    13 S   HC   HG11    14     1.09584   110.62929   -65.09868
   15    13 S   HC   HG12    15     1.09668   109.79654    54.13424
   16    13 S   C    _CD1    16     1.51791   112.23555   174.61955
   17    16 S   O    _OE1    17     1.22729   123.28457     6.43651
   18    16 S   N    _N2_    18     1.38621   111.63945  -173.65511
   19    18 S   H    _HN2    19     1.01579   118.99337     1.85287
   20    18 S   CT1  _CA2    20     1.46274   123.49897   178.29475
   21    20 S   HC   _HA2    21     1.09737   109.37517     4.33445
   22    20 S   C    _C2_    22     1.53587   108.62539  -111.20188
   23    22 S   O    _O2_    23     1.23053   122.34317  -147.88460
   24    20 S   CT   _CB2    32     1.53474   111.32493   126.33451
   25    24 S   HC   HB21    33     1.09253   109.31110    57.39530
   26    24 S   HC   HB22    34     1.09490   109.80187   175.89268
   27    22 S   N    _N3_    24     1.38363   113.73178    39.59935
   28    27 S   H    _HN3    25     1.01567   119.58516    -3.24872
   29    24 S   S    _SG2    35     1.83266   110.79338   -64.95869
   30    27 S   CT   _CA3    26     1.45281   123.20100   177.15352
   31    30 S   HC   HA31    27     1.09550   107.50811   -64.67062
   32    30 S   HC   HA32    28     1.09557   107.98698    51.76564
   33    29 S   CT   _C21    36     1.90172   103.29734   163.79916
   34    30 S   CO3  _C3_    29     1.52958   114.09308   173.77191
   35    34 S   O2Z  _O31    30     1.26374   116.08205    -0.47601
   36    34 S   O2Z  _O32    31     1.26430   114.41070   179.57942
   37    33 S   CM   _C26    37     1.52631   106.44760    41.89712
   38    37 S   HC   _H29    38     1.08880   117.62942   -90.59813
   39    33 S   CT   _C20    53     1.54711   106.78163   -78.96039
   40    39 S   F    F1__    54     1.36353   110.60485    63.16430
   41    39 S   HC   _H8_    55     1.09656   110.52002   -54.30319
   42    37 S   CMA  _C25    39     1.35091   123.39062    88.80220
   43    42 S   OM   _O37    40     1.25868   131.12662  -179.23664
   44    42 S   CM   _C24    41     1.46276   117.35758    -0.72739
   45    44 S   HC   _H28    42     1.08835   119.43916  -161.45782
   46    44 S   CM   _C23    43     1.34441   121.93629    19.52139
   47    46 S   HC   _H27    44     1.08641   119.07812   177.72067
   48    33 S   CT   _C22    45     1.60647   111.75119   161.37982
   49    48 S   CT   _C8_    46     1.59759   109.77333   170.99562
   50    49 S   HC   _H4_    47     1.10167   106.12543    60.37797
   51    48 S   CT   _C27    94     1.55011   111.63462    46.86022
   52    51 S   HC   _H30    95     1.09353   112.06425    66.98894
   53    51 S   HC   _H31    96     1.09371   112.88001   -54.56582
   54    51 S   HC   _H32    97     1.09307   112.30807  -171.39958
   55    49 S   CT   _C9_    48     1.55775   112.72779   -53.79871
   56    55 S   HC   _H5_    49     1.09467   109.86005   -65.20680
   57    49 S   CT   _C7_    68     1.56330   116.39120   174.62575
   58    57 S   HC   _H3_    69     1.09613   108.85986   -59.42910
   59    55 S   CT   _C19    50     1.53100   110.68875    53.86445
   60    59 S   HC   _H25    51     1.09759   110.66364    68.68447
   61    59 S   HC   _H26    52     1.09698   110.15006  -175.27984
   62    55 S   CT   _C10    56     1.53823   108.49728   174.47416
   63    62 S   HC   _H6_    57     1.10117   105.39354   -58.07970
   64    57 S   OH   _O38    70     1.42007   111.88545    58.00574
   65    64 S   HO   _H33    71     0.97228   107.78998  -174.46314
   66    62 S   CT   _C11    58     1.52726   118.95813  -176.40174
   67    66 S   HC   _H14    59     1.09584   110.18600   -45.21012
   68    66 S   HC   _H15    60     1.09470   111.97479    75.34044
   69    66 S   CT   _C12    61     1.54204   103.93462  -163.25811
   70    69 S   HC   _H7_    62     1.09419   109.29506   134.92501
   71    69 S   CT   _C13    63     1.54098   107.19588     9.75923
   72    62 S   CT   _C5_    64     1.54732   114.21997    60.39657
   73    71 S   OS   _O33    76     1.42773   104.17998   -98.27337
   74    71 S   CO4  _C17    87     1.53838   113.24724   143.95162
   75    74 S   O    _O35    88     1.23265   121.42515   -22.38510
   76    72 S   CT   _C6_    65     1.54412   106.65381   -61.24368
   77    76 S   HC   _H12    66     1.09699   109.97785   -65.65934
   78    76 S   HC   _H13    67     1.09498   109.67721   177.10234
   79    72 S   CT   _C4_    72     1.55165   113.05712    61.09606
   80    79 S   HC   _H9_    73     1.09513   112.41697    68.46517
   81    79 S   HC   _H10    74     1.09133   113.33844   -51.59415
   82    79 S   HC   _H11    75     1.09605   110.56306  -172.02260
   83    73 S   CO   _C14    77     1.42993   107.15228   -21.27416
   84    74 S   CT   _C18    89     1.52093   117.38109   158.95254
   85    84 S   HC   _H22    90     1.09022   109.68662    63.58333
   86    84 S   HC   _H23    91     1.09249   109.72256   -57.99522
   87    69 S   OS   _O34    78     1.42502   110.65751  -106.03204
   88    83 S   CT   _C15    79     1.52367   108.86605   135.37168
   89    88 S   HC   _H16    80     1.09516   110.78660   -61.42347
   90    88 S   HC   _H17    81     1.09515   111.30264   179.80923
   91    88 S   HC   _H18    82     1.09503   111.31311    57.70970
   92    83 S   CT   _C16    83     1.52619   109.41444  -103.89420
   93    92 S   HC   _H19    84     1.09533   110.95811    62.89338
   94    92 S   HC   _H20    85     1.09500   111.26756   -56.44083
   95    92 S   HC   _H21    86     1.09525   111.22257  -178.42828
   96    84 S   OH   _O36    92     1.41483   110.27280  -177.24871
   97    96 S   HO   _H24    93     0.97224   107.26788   178.77491
  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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  12   6   5  13   6  19  13  15  10   4   6   2   1   3   2
   1   1   9   4   3   2   8   7   3   2   1   3   2   1   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    76    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    72    76    77    78    57    58    64    65    51    52    53    54  
   55    56    59    62    76    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    72    76    57    58    64    79  
   59    60    61    62    63    66    72    57  
   58    64    65    79    59    62    71    72    76    77    78  
   64    65    72    76    77    78  
   60    61    62    63    66    72  
   61    62  
   62  
   63    66    67    68    69    70    71    72    76    77    78    79    80    81    82    73    87    74  
   66    67    68    69    71    72    76    79  
   65    72    76    77    78  
   76  
   67    68    69    70    71    72    76    79    73    83    87    74  
   68    69    70    71    72    87  
   69    70    71    72    87  
   70    71    72    76    79    73    83    87    88    92    74    75    84  
   71    72    73    83    87    74  
   72    76    77    78    79    80    81    82    73    83    87    88    92    74    75    84    85    86    96  
   76    77    78    79    80    81    82    73    83    87    74    75    84  
   83    87    88    89    90    91    92    93    94    95    74    75    84    76    79  
   75    84    85    86    96    97    76    79    83    87  
   84    85    86    96  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   87    88    89    90    91    92    93    94    95  
   85    86    96    97  
   86    96    97  
   96    97  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   41   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   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   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   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    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    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   367.000  1.332
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    72   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    87   320.000  1.410
   71    72   268.000  1.529
   71    73   320.000  1.410
   71    74   317.000  1.522
   72    76   268.000  1.529
   72    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    83   320.000  1.380
   83    87   320.000  1.380
   83    88   250.000  1.527
   83    92   250.000  1.527
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    96   320.000  1.410
   96    97   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    76    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    72    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    50.00000  109.50000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    40.00000  107.00000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    72    71    58.35000  112.70000
   62    72    76    58.35000  112.70000
   62    72    79    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    87    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    58.35000  112.70000
   69    71    73    50.00000  109.50000
   69    71    74    63.00000  111.10000
   69    87    83    60.00000  109.50000
   71    69    70    37.50000  110.70000
   71    72    76    58.35000  112.70000
   71    72    79    58.35000  112.70000
   71    73    83    60.00000  109.50000
   71    74    75    80.00000  120.40000
   71    74    84    70.00000  116.00000
   72    62    63    37.50000  110.70000
   72    62    66    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    57    58.35000  112.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    64    50.00000  109.50000
   78    76    77    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    55    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   79    72    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    71    72    50.00000  109.50000
   73    83    87    92.60000  111.55000
   73    83    88    90.00000  108.56700
   73    83    92    90.00000  108.56700
   83    88    89    45.00000  108.72000
   83    88    90    45.00000  108.72000
   83    88    91    45.00000  108.72000
   83    92    93    45.00000  108.72000
   83    92    94    45.00000  108.72000
   83    92    95    45.00000  108.72000
   87    69    70    35.00000  109.50000
   87    69    71    50.00000  109.50000
   88    83    87    90.00000  108.56700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    83    87    90.00000  108.56700
   92    83    88    65.00000  112.71400
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   74    71    72    63.00000  111.10000
   74    71    73    90.00000  108.74100
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    96    90.00000  109.61100
   84    74    75    80.00000  120.40000
   84    96    97    55.00000  108.50000
   86    84    85    33.00000  107.80000
   96    84    85    35.00000  109.50000
   96    84    86    35.00000  109.50000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
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   88    83    87    69  -0.01100 -1.0 2.0
   88    83    87    69   0.28050  1.0 3.0
   88    83    92    93   0.15000  1.0 3.0
   88    83    92    94   0.15000  1.0 3.0
   88    83    92    95   0.15000  1.0 3.0
   92    83    87    69   0.06250  1.0 1.0
   92    83    87    69  -0.01100 -1.0 2.0
   92    83    87    69   0.28050  1.0 3.0
   92    83    88    89   0.15000  1.0 3.0
   92    83    88    90   0.15000  1.0 3.0
   92    83    88    91   0.15000  1.0 3.0
   74    71    72    62  -0.95700  1.0 1.0
   74    71    72    62  -0.18200 -1.0 2.0
   74    71    72    62   0.29450  1.0 3.0
   74    71    72    76  -0.95700  1.0 1.0
   74    71    72    76  -0.18200 -1.0 2.0
   74    71    72    76   0.29450  1.0 3.0
   74    71    72    79  -0.95700  1.0 1.0
   74    71    72    79  -0.18200 -1.0 2.0
   74    71    72    79   0.29450  1.0 3.0
   74    71    73    83  -1.11000  1.0 1.0
   74    71    73    83   0.50250 -1.0 2.0
   74    71    73    83   0.47450  1.0 3.0
   74    84    96    97   0.91850  1.0 1.0
   74    84    96    97   0.57950  1.0 3.0
   75    74    84    85   0.00000  1.0 1.0
   75    74    84    86   0.00000  1.0 1.0
   75    74    84    96   0.30150 -1.0 2.0
   85    84    96    97   0.19450  1.0 3.0
   86    84    96    97   0.19450  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    84    74    75  10.50000 -1.0 2.0
END
