* LIGAND DATABASE FILE (OPLS2005)
*
001      99   103    189    317     578
    1     0 S   NP   _N1_     1    28.77132    96.93504   -20.47604
    2     1 S   H    _HN1     2     1.02965    81.20212    36.95855
    3     1 S   H    _H1_     3     1.02833    43.60659   163.28287
    4     1 S   H    _H2_     4     1.02778    83.96840   -72.69712
    5     1 S   CT   _CA1     5     1.50094   154.23423   156.22816
    6     5 S   HC   _HA1     6     1.09583   105.22374    64.22552
    7     5 S   CO3  _C1_     7     1.53669   112.53119   -55.91158
    8     7 S   O2Z  _O11     8     1.26331   114.94192   -42.90981
    9     7 S   O2Z  _O12     9     1.26254   114.82634   136.18561
   10     5 S   CT   _CB1    10     1.53031   107.44363  -177.96250
   11    10 S   HC   HB11    11     1.09819   109.04354   -52.83380
   12    10 S   HC   HB12    12     1.09820   110.52665    63.62618
   13    10 S   CT   _CG1    13     1.52986   112.72034  -174.09263
   14    13 S   HC   HG11    14     1.09626   110.38061   -67.28657
   15    13 S   HC   HG12    15     1.09660   110.04271    51.95994
   16    13 S   C    _CD1    16     1.51754   112.31411   172.06479
   17    16 S   O    _OE1    17     1.22718   123.29459    -3.60799
   18    16 S   N    _N2_    18     1.38601   111.59801   177.04806
   19    18 S   H    _HN2    19     1.01591   119.03698     0.07133
   20    18 S   CT1  _CA2    20     1.46141   123.29256   178.94131
   21    20 S   HC   _HA2    21     1.09738   109.43613    -9.39206
   22    20 S   C    _C2_    22     1.53473   108.36650  -124.96821
   23    22 S   O    _O2_    23     1.23025   122.19762  -146.35542
   24    20 S   CT   _CB2    32     1.53394   111.48162   112.77212
   25    24 S   HC   HB21    33     1.09416   109.43324    55.52077
   26    24 S   HC   HB22    34     1.09429   109.77745   174.25966
   27    22 S   N    _N3_    24     1.38492   113.43646    41.04740
   28    27 S   H    _HN3    25     1.01519   118.91683    -0.72659
   29    24 S   S    _SG2    35     1.82883   111.46353   -66.39416
   30    27 S   CT   _CA3    26     1.45454   123.51993   175.04947
   31    30 S   HC   HA31    27     1.09518   109.32041    22.84838
   32    30 S   HC   HA32    28     1.09498   107.10528   139.87491
   33    29 S   CT   _C17    36     1.87929   101.77668   166.06126
   34    30 S   CO3  _C3_    29     1.52921   113.03748  -100.67859
   35    34 S   O2Z  _O31    30     1.26409   115.37795   -44.85887
   36    34 S   O2Z  _O32    31     1.26350   114.99627   136.03984
   37    33 S   CO4  _C16    37     1.52960   105.97984   -66.37963
   38    37 S   O    _O35    38     1.22851   123.55313   105.76780
   39    33 S   CT   _C18    86     1.54822   111.87231    52.96589
   40    39 S   HC   _H7_    87     1.09591   111.23970   -59.79335
   41    37 S   CA   _C14    39     1.47241   116.90886   -71.62324
   42    39 S   OH   _O41    88     1.43320   111.05798  -175.69834
   43    42 S   HO   _H28    89     0.97321   107.85839    61.47657
   44    41 S   CA   _C13    40     1.39890   117.00201   -28.15080
   45    44 S   CA   _C12    41     1.40955   116.65915   177.51635
   46    45 S   HA   _H14    42     1.08870   120.80558  -179.64668
   47    44 S   CMA  _C27    69     1.51816   122.48005    -6.00662
   48    47 S   OM   _O37    70     1.26993   118.05458  -157.84476
   49    45 S   CA   _C11    43     1.39998   121.98027     1.31060
   50    49 S   HA   _H13    44     1.08744   118.11434   178.70110
   51    33 S   CM   _C26    71     1.53424   107.54559   176.84595
   52    49 S   CA   _C10    45     1.39836   121.02608    -0.48899
   53    51 S   CT   _C25    72     1.55853   114.89961   -97.31882
   54    41 S   CA   _C15    46     1.40986   121.33654   150.46234
   55    52 S   CT   _C9_    49     1.52038   121.26176   177.61386
   56    55 S   HC   _H6_    50     1.09807   108.20865   136.43222
   57    53 S   CO4  _C24    73     1.54340   110.86263  -102.40548
   58    57 S   O    _O36    74     1.23155   123.80253     1.21595
   59    53 S   OH   _O38    98     1.44304   110.95671   143.96918
   60    59 S   HO   _H22    99     0.97479   107.67844    42.72699
   61    54 S   OH   _O34    47     1.37294   121.72635     0.89416
   62    61 S   HO   _H15    48     0.97337   109.06172     7.39096
   63    55 S   CT   _C8_    51     1.53252   110.65382  -101.98872
   64    63 S   HC   _H11    52     1.09655   111.81519   -58.32796
   65    63 S   HC   _H12    53     1.09919   110.11653    58.83352
   66    57 S   CT   _C23    75     1.51449   116.32911  -176.77797
   67    66 S   HC   _H20    76     1.09665   108.55313    66.88153
   68    66 S   HC   _H21    77     1.09694   109.29579  -178.38190
   69    63 S   CT   _C7_    54     1.52577   110.78958   179.16725
   70    69 S   HC   _H5_    55     1.09674   110.40990    69.76219
   71    66 S   CT   _C22    78     1.52576   111.21964   -55.81120
   72    69 S   CT   _C6_    56     1.53024   110.69041   -52.32522
   73    72 S   HC   _H4_    57     1.09711   108.90045   -71.08302
   74    69 S   OH   _O42    67     1.42614   109.32977  -172.64289
   75    74 S   HO   _H29    68     0.97239   107.54208   -58.82557
   76    71 S   CT   _C21    79     1.54043   111.28104    49.82898
   77    76 S   HC   _H18    80     1.09939   109.93039  -174.67590
   78    76 S   HC   _H19    81     1.10110   107.94116    73.68445
   79    71 S   CT   _C28    92     1.53046   110.81631   -78.18649
   80    79 S   HC   _H23    93     1.09575   110.90827   175.81554
   81    79 S   HC   _H24    94     1.09189   112.75487    53.59203
   82    79 S   HC   _H25    95     1.09674   110.54299   -66.75432
   83    71 S   OH   _O39    96     1.43675   106.82960   166.38883
   84    83 S   HO   _H26    97     0.97267   107.91145  -179.51908
   85    72 S   CT   _C5_    58     1.53412   110.73834    50.31313
   86    85 S   HC   _H3_    59     1.09755   110.31089    66.90427
   87    72 S   OH   _O43    65     1.42704   109.74359   172.14135
   88    87 S   HO   _H30    66     0.97234   107.99985   -60.56515
   89    53 S   CT   _C20    82     1.55675   115.92591    23.17166
   90    55 S   OS   _O33    60     1.43436   110.70304    19.02460
   91    85 S   CT   _C4_    61     1.52548   111.27396  -173.56105
   92    91 S   HC   _H8_    62     1.09566   110.88971    60.53871
   93    91 S   HC   _H9_    63     1.09398   111.67205   -60.89415
   94    91 S   HC   _H10    64     1.09459   110.48182   178.41316
   95    89 S   CT   _C19    83     1.54372   115.04260   -44.76253
   96    95 S   HC   _H16    84     1.09319   111.02812  -109.30624
   97    95 S   HC   _H17    85     1.09817   109.28222   135.23237
   98    89 S   OH   _O40    90     1.44900   106.90642    72.40670
   99    98 S   HO   _H27    91     0.97219   108.38351   173.77294
  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
  19   2   1   1  14   5  13   7  12   6   1  11   9   4   8   2
   8   3  10  11  17   6  13   6  13   6   6   1   1   1  11   6
   5  13   5   4  11   6  12  12   7   3   1  14   6   5   6   3
   2   1   2   1   8   6   3   1   5   4   3   2   1   1   4   2
   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    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    51    53    95    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    54    47    48    51    53    57    89    95    96    97    39    40    42    43    59  
   35    36  
   36  
    0  
   38    41    44    45    52    54    61    47    51    53    95    39    40    42  
   41    44    54    51    39  
   40    42    43    98    41    47    51    53    76    89    95    96    97  
   42    43    51    89    95    96    97  
   44    45    46    49    52    54    61    62    55    47    48    51  
   43    51    89    95    96    97  
   95  
   45    46    49    50    52    54    61    47    48    51    53  
   46    49    50    52    54    55    47    48    51  
   49    50    52    47  
   48    51    53    57    89    59    49    54  
   51    53  
   50    52    54    61    55    56    63    90  
   52    54    55  
   53    57    58    66    76    89    95    98    59    60  
   54    61    62    55    56    63    64    65    69    85    90  
   57    58    66    67    68    71    76    77    78    89    95    96    97    98    99    59    60  
   61    62    55    56    63    90  
   56    63    64    65    69    70    72    85    86    90    91    74    61  
   63    64    65    69    85    90  
   58    66    67    68    71    76    89    95    98    79    83    59    60  
   66    67    68    71    89    59  
   60    66    76    89    95    98  
   89  
   62  
    0  
   64    65    69    70    72    73    85    90    87    74    75  
   65    69    70    72    90    74  
   69    70    72    90    74  
   67    68    71    76    77    78    89    79    80    81    82    83    84  
   68    71    76    79    83  
   71    76    79    83  
   70    72    73    85    86    90    91    87    88    74    75  
   72    73    85    87    74    75  
   76    77    78    89    95    98    79    80    81    82    83    84  
   73    85    86    90    91    92    93    94    87    88    74    75  
   85    86    90    91    87    88    74  
   75    85    87  
    0  
   77    78    89    95    96    97    98    99    79    80    81    82    83    84  
   78    89    95    98    79    83  
   89    95    98    79    83  
   80    81    82    83    84    89  
   81    82    83  
   82    83  
   83  
   84    89  
    0  
   86    90    91    92    93    94    87    88  
   90    91    92    93    94    87  
   88    90    91  
    0  
   95    96    97    98    99  
   91    92    93    94  
   92    93    94  
   93    94  
   94  
    0  
   96    97    98    99  
   97    98  
   98  
   99  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   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  1.522
   33    51   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    54   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    52   469.000  1.400
   52    54   469.000  1.400
   52    55   317.000  1.510
   54    61   450.000  1.364
   61    62   553.000  0.945
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    90   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    72   268.000  1.529
   69    74   320.000  1.410
   72    73   340.000  1.090
   72    85   268.000  1.529
   72    87   320.000  1.410
   85    86   340.000  1.090
   85    90   320.000  1.410
   85    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   87    88   553.000  0.945
   74    75   553.000  0.945
   47    48   745.000  1.250
   47    51   465.000  1.376
   51    53   317.000  1.510
   53    57   317.000  1.522
   53    89   268.000  1.529
   53    59   320.000  1.410
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    76   268.000  1.529
   71    79   268.000  1.529
   71    83   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    89   268.000  1.529
   89    95   268.000  1.529
   89    98   320.000  1.410
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   98    99   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  110.18000
   29    33    51    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    51    47    70.00000  124.00000
   33    51    53    65.00000  117.92700
   33    39    95    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    54    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  120.93500
   41    54    52    63.00000  120.00000
   41    54    61    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    48    85.00000  114.86500
   44    47    51    60.00000  123.20500
   45    49    50    35.00000  120.00000
   45    49    52    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    52    54    63.00000  120.00000
   49    52    55    70.00000  120.00000
   52    49    50    35.00000  120.00000
   52    54    61    70.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    63    70.00000  112.17500
   52    55    90    85.00000  111.85700
   54    41    44    63.00000  120.00000
   54    61    62    35.00000  113.00000
   55    52    54    70.00000  120.00000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    69    58.35000  112.70000
   55    90    85    60.00000  109.50000
   63    55    56    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    72    58.35000  112.70000
   63    69    74    50.00000  109.50000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    85    58.35000  112.70000
   69    72    87    50.00000  109.50000
   69    74    75    55.00000  108.50000
   72    69    70    37.50000  110.70000
   72    85    86    37.50000  110.70000
   72    85    90    50.00000  109.50000
   72    85    91    58.35000  112.70000
   72    87    88    55.00000  108.50000
   85    72    73    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    37.50000  110.70000
   90    55    56    35.00000  109.50000
   90    55    63    50.00000  109.50000
   90    85    86    35.00000  109.50000
   91    85    86    37.50000  110.70000
   91    85    90    50.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   87    72    73    35.00000  109.50000
   87    72    85    50.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    72    50.00000  109.50000
   47    44    45    60.00000  120.93500
   47    51    53    70.00000  124.00000
   51    33    37    70.00000  109.06800
   51    47    48    65.00000  137.10300
   51    53    57    70.00000  109.06800
   51    53    89    70.00000  112.02700
   51    53    59    90.00000  110.39200
   53    57    58    80.00000  120.40000
   53    57    66    70.00000  116.00000
   53    89    76    58.35000  112.70000
   53    89    95    58.35000  112.70000
   53    89    98    50.00000  109.50000
   53    59    60    55.00000  108.50000
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    71    63.00000  111.10000
   66    57    58    80.00000  120.40000
   66    71    76    58.35000  112.70000
   66    71    79    58.35000  112.70000
   66    71    83    50.00000  109.50000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    89    58.35000  112.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   71    83    84    55.00000  108.50000
   76    89    95    58.35000  112.70000
   76    89    98    50.00000  109.50000
   78    76    77    33.00000  107.80000
   89    53    57    63.00000  111.10000
   89    76    77    37.50000  110.70000
   89    76    78    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95    97    37.50000  110.70000
   89    95    39    58.35000  112.70000
   89    98    99    55.00000  108.50000
   95    39    40    37.50000  110.70000
   95    39    42    50.00000  109.50000
   97    95    96    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    51    70.00000  112.02700
   39    95    96    37.50000  110.70000
   39    95    97    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   98    89    95    50.00000  109.50000
   79    71    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
   83    71    76    50.00000  109.50000
   83    71    79    50.00000  109.50000
   59    53    57    90.00000  109.61100
   59    53    89    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    51    47   0.42700  1.0 1.0
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   83    71    79    81   0.23400  1.0 3.0
   83    71    79    82   0.23400  1.0 3.0
   59    53    57    58   0.30150 -1.0 2.0
   59    53    57    66   0.55300  1.0 1.0
   59    53    57    66   1.25850 -1.0 2.0
   59    53    57    66  -0.23600  1.0 3.0
   59    53    89    76   0.86500  1.0 1.0
   59    53    89    76  -0.17500 -1.0 2.0
   59    53    89    76   0.20800  1.0 3.0
   59    53    89    95   0.86500  1.0 1.0
   59    53    89    95  -0.17500 -1.0 2.0
   59    53    89    95   0.20800  1.0 3.0
   59    53    89    98   3.75450  1.0 1.0
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    41    37    38  10.50000 -1.0 2.0
   44    54    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   52    50    49    45   1.10000 -1.0 2.0
   54    55    52    49   4.00000 -1.0 2.0
   52    61    54    41   4.00000 -1.0 2.0
   44    48    47    51   1.10000 -1.0 2.0
   33    53    51    47   1.10000 -1.0 2.0
   53    66    57    58  10.50000 -1.0 2.0
END
