* LIGAND DATABASE FILE (OPLS2005)
*
001      96    99    191    315     583
    1     0 S   NP   _N1_     1    28.75655    90.35233   -22.65202
    2     1 S   H    _HN1     2     1.02838    31.03746    65.41096
    3     1 S   H    _H1_     3     1.02779    78.58141  -134.15055
    4     1 S   H    _H2_     4     1.02953   107.78329   -28.33134
    5     1 S   CT   _CA1     5     1.50181   133.61494   115.93496
    6     5 S   HC   _HA1     6     1.09560   105.24213    34.13807
    7     5 S   CO3  _C1_     7     1.53944   112.01996   -86.17745
    8     7 S   O2Z  _O11     8     1.26409   115.01501   -46.10089
    9     7 S   O2Z  _O12     9     1.26223   114.91483   132.54610
   10     5 S   CT   _CB1    10     1.53061   107.38549   152.19910
   11    10 S   HC   HB11    11     1.09828   109.76698   -46.98631
   12    10 S   HC   HB12    12     1.09755   110.12609    69.50724
   13    10 S   CT   _CG1    13     1.53089   112.70777  -167.88459
   14    13 S   HC   HG11    14     1.09475   110.56357   -56.28924
   15    13 S   HC   HG12    15     1.09626   109.97852    62.75001
   16    13 S   C    _CD1    16     1.51847   112.00245  -176.86981
   17    16 S   O    _OE1    17     1.22815   123.10531    -5.05687
   18    16 S   N    _N2_    18     1.38639   112.14399   175.27814
   19    18 S   H    _HN2    19     1.01548   119.38565     3.16910
   20    18 S   CT1  _CA2    20     1.45709   122.35863  -176.42763
   21    20 S   HC   _HA2    21     1.09598   108.00387    33.51055
   22    20 S   C    _C2_    22     1.53044   107.79633   -83.12939
   23    22 S   O    _O2_    23     1.22957   123.12891   -26.09944
   24    20 S   CT   _CB2    32     1.53587   113.13651   156.63531
   25    24 S   HC   HB21    33     1.09676   109.48449    71.00063
   26    24 S   HC   HB22    34     1.09582   110.66560  -172.21180
   27    22 S   N    _N3_    24     1.38522   112.44592   156.72036
   28    27 S   H    _HN3    25     1.01641   120.34826    -2.76923
   29    24 S   S    _SG2    35     1.82681   115.36434   -48.35211
   30    27 S   CT   _CA3    26     1.45348   122.53443   178.50132
   31    30 S   HC   HA31    27     1.09566   107.87909   -54.35002
   32    30 S   HC   HA32    28     1.09559   107.56566    62.01163
   33    29 S   CT   _C25    36     1.82921   100.74686   -66.43808
   34    33 S   HC   _H3_    37     1.09435   107.41269   -85.76400
   35    33 S   HC   _H4_    38     1.09060   109.29321    31.65418
   36    30 S   CO3  _C3_    29     1.52903   114.26710  -176.31124
   37    36 S   O2Z  _O31    30     1.26346   116.04885    -0.44631
   38    36 S   O2Z  _O32    31     1.26437   114.42195   179.51141
   39    33 S   CT   _C10    39     1.53219   110.13921   153.77761
   40    39 S   HC   _H38    40     1.09605   111.45412    42.93448
   41    39 S   CO4  _C4_    41     1.52269   110.85984   -80.03015
   42    41 S   O    _O23    42     1.22550   123.43935    67.59843
   43    39 S   CT   _C11    52     1.55024   113.79334   167.50467
   44    43 S   HC   _H39    53     1.09580   110.85757   -33.68272
   45    41 S   CT   _C18    43     1.53749   112.17018  -115.46459
   46    45 S   CT   _C17    54     1.54623    99.62486    21.78535
   47    46 S   HC   _H45    55     1.08952   112.80386  -160.25365
   48    45 S   CT   _C12    44     1.57672   105.30214   -94.01191
   49    48 S   HC   _H40    45     1.10331   105.30958   -53.77687
   50    46 S   OH   _O27    56     1.41878   114.38365    78.24326
   51    50 S   HO   _H62    57     0.97227   107.76294  -179.10213
   52    48 S   CT   _C7_    46     1.56043   110.84187    57.68447
   53    52 S   HC   _H32    47     1.09979   106.82285   -88.38495
   54    52 S   HC   _H33    48     1.08844   113.17520   157.74977
   55    48 S   CT   _C19    58     1.60557   114.92113  -166.64258
   56    52 S   CT   _C6_    49     1.53523   116.73721    30.99820
   57    56 S   HC   _H30    50     1.09652   109.23665    85.68967
   58    56 S   HC   _H31    51     1.09705   108.91059  -159.06585
   59    55 S   CT   _C13    59     1.58584   106.77299    49.51661
   60    59 S   HC   _H41    60     1.10284   104.33776    55.38921
   61    55 S   CT   _C22    93     1.54526   110.18705   -74.12833
   62    61 S   HC   _H49    94     1.09120   112.65862  -159.49315
   63    61 S   HC   _H50    95     1.09071   113.03995    79.73480
   64    61 S   HC   _H51    96     1.09290   111.69271   -41.97474
   65    59 S   CT   _C8_    61     1.53972   111.68277   -56.96424
   66    65 S   HC   _H34    62     1.09456   111.29082  -177.63528
   67    65 S   HC   _H35    63     1.09447   112.49765   -60.26223
   68    59 S   CT   _C20    68     1.57341   116.98597   169.09115
   69    45 S   CT   _C14    64     1.53538   109.38929   145.41661
   70    69 S   HC   _H42    65     1.09721   109.07487    47.65701
   71    68 S   CT   _C16    69     1.55632   109.05745   -52.12386
   72    71 S   HC   _H44    70     1.09800   109.10166   173.92346
   73    68 S   CT   _C23    85     1.55626   109.89659  -169.75963
   74    73 S   HC   _H52    86     1.09669   110.85099   166.39672
   75    73 S   HC   _H53    87     1.09547   111.89175    46.31522
   76    73 S   HC   _H54    88     1.09500   111.96247   -74.73201
   77    68 S   CT   _C24    89     1.54088   113.83000    71.59637
   78    77 S   HC   _H55    90     1.09714   110.49669   170.85976
   79    77 S   HC   _H56    91     1.09466   111.63575    51.92338
   80    77 S   HC   _H57    92     1.08878   113.46353   -70.41698
   81    69 S   OH   _O25    66     1.42210   112.22609   -69.29727
   82    81 S   HO   _H60    67     0.97205   108.08813   171.02429
   83    71 S   CT   _C9_    71     1.52432   112.62328    52.03372
   84    83 S   HC   _H36    72     1.09820   109.54449  -175.95107
   85    83 S   HC   _H37    73     1.09539   110.65888    69.18788
   86    71 S   OS   _O28    78     1.45125   108.64245   -67.38697
   87    55 S   CT   _C15    74     1.57326   110.55514   165.86929
   88    87 S   HC   _H43    75     1.09720   108.88269   -44.55686
   89    86 S   CO4  _C5_    79     1.36148   118.00753  -151.56655
   90    89 S   O    _O24    80     1.22296   126.45109    -0.44806
   91    87 S   OH   _O26    76     1.42703   111.52356    73.26473
   92    91 S   HO   _H61    77     0.97249   107.72047  -173.91066
   93    89 S   CT   _C21    81     1.49842   109.37220   179.73607
   94    93 S   HC   _H46    82     1.09301   109.82919   -60.09175
   95    93 S   HC   _H47    83     1.09374   109.37447  -179.11907
   96    93 S   HC   _H48    84     1.09292   109.80154    61.76118
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   7   5   4   3
  11   5   4   2   1   1  15   7  16   5  14   8  21  14   5  24
   9   3   1  10   5   4  22   2   1   1  27  10   9   3   2   1
  11   5   4  17   3   2  19   8   9   3   2   1   5   2   1   1
   1   1   8   5   4   7   3   2   5   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    45    56    43    44    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    45    48    52    56    57    58    43    44    46    47    50    69  
   41    42    45    56    43    44    46  
   42    45    48    49    52    56    43    44    46    47    50    55    65    69    70    81  
   45    48    43    46    69  
   44    46    47    50    51    69    45    48    52    53    54    56    57    58  
   46    47    50    45    52    56    57    58  
   48    49    52    53    54    56    46    47    50    51    55    59    65    66    67    69    70    81    82    87    61  
   47    50    51    55    65    69    70    81    48    49    52    56    57    58  
   50    51    69    48    56  
   49    52    53    54    56    57    58    50    55    59    60    65    69    70    81    68    83    87    88    91    61    62    63    64  
   52    53    54    56    55    59    69    87    61  
   51    69    56  
    0  
   53    54    56    57    58    55    59    69    87    61  
   54    56    57    58    55  
   56    57    58    55  
   59    60    65    66    67    69    68    71    83    84    85    87    88    91    92    73    77    61    62    63    64    56  
   57    58  
   58  
    0  
   60    65    66    67    69    70    81    68    71    72    83    87    88    91    86    73    74    75    76    77    78    79    80    61    62    63    64  
   65    66    67    69    68    71    87    73    77    61  
   62    63    64    65    68    83    87    88    91  
   63    64    87  
   64    87  
   87  
   66    67    69    70    81    82    68    71    87    73    77  
   67    69    70    81    68  
   69    70    81    68  
   71    72    83    84    85    87    86    89    73    74    75    76    77    78    79    80    69  
   70    81    82  
   81    82  
   72    83    84    85    87    88    91    86    89    90    93    73    74    75    76    77    78    79    80  
   83    84    85    87    86    89    73    77  
   74    75    76    77    78    79    80    83    86  
   75    76    77  
   76    77  
   77  
   78    79    80    83    86  
   79    80  
   80  
    0  
   82  
    0  
   84    85    87    88    91    92    86    89  
   85    87    88    91    86  
   87    88    91    86  
   89    90    93    94    95    96    87  
   88    91    92  
   91    92  
   90    93    94    95    96  
   93    94    95    96  
   92  
    0  
   94    95    96  
   95    96  
   96  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    45   317.000  1.522
   45    48   268.000  1.529
   45    46   268.000  1.529
   45    69   268.000  1.529
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    43   268.000  1.529
   43    44   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    50   320.000  1.410
   50    51   553.000  0.945
   55    59   268.000  1.529
   55    87   268.000  1.529
   55    61   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    81   320.000  1.410
   81    82   553.000  0.945
   68    71   268.000  1.529
   68    73   268.000  1.529
   68    77   268.000  1.529
   71    72   340.000  1.090
   71    83   268.000  1.529
   71    86   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    87   268.000  1.529
   87    88   340.000  1.090
   87    91   320.000  1.410
   91    92   553.000  0.945
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    45    70.00000  116.00000
   39    43    56    58.35000  112.70000
   39    43    44    37.50000  110.70000
   39    43    46    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    45    48    63.00000  111.10000
   41    45    46    63.00000  111.10000
   41    45    69    63.00000  111.10000
   45    41    42    80.00000  120.40000
   45    48    49    37.50000  110.70000
   45    48    52    58.35000  112.70000
   45    48    55    58.35000  112.70000
   45    46    43    58.35000  112.70000
   45    46    47    37.50000  110.70000
   45    46    50    50.00000  109.50000
   45    69    65    58.35000  112.70000
   45    69    70    37.50000  110.70000
   45    69    81    50.00000  109.50000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    56    58.35000  112.70000
   48    55    59    58.35000  112.70000
   48    55    87    58.35000  112.70000
   48    55    61    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    43    58.35000  112.70000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    43    44    37.50000  110.70000
   56    43    46    58.35000  112.70000
   58    56    57    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    56    57    37.50000  110.70000
   43    56    58    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    50.00000  109.50000
   46    45    48    58.35000  112.70000
   46    43    44    37.50000  110.70000
   46    50    51    55.00000  108.50000
   50    46    47    35.00000  109.50000
   55    48    49    37.50000  110.70000
   55    48    52    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    65    58.35000  112.70000
   55    59    68    58.35000  112.70000
   55    87    83    58.35000  112.70000
   55    87    88    37.50000  110.70000
   55    87    91    50.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    69    58.35000  112.70000
   59    68    71    58.35000  112.70000
   59    68    73    58.35000  112.70000
   59    68    77    58.35000  112.70000
   65    59    60    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    81    50.00000  109.50000
   67    65    66    33.00000  107.80000
   69    45    48    58.35000  112.70000
   69    45    46    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    81    82    55.00000  108.50000
   81    69    70    35.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    65    58.35000  112.70000
   68    71    72    37.50000  110.70000
   68    71    83    58.35000  112.70000
   68    71    86    50.00000  109.50000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    37.50000  110.70000
   68    77    80    37.50000  110.70000
   71    83    84    37.50000  110.70000
   71    83    85    37.50000  110.70000
   71    83    87    58.35000  112.70000
   71    86    89    83.00000  116.90000
   83    71    72    37.50000  110.70000
   83    87    88    37.50000  110.70000
   83    87    91    50.00000  109.50000
   85    83    84    33.00000  107.80000
   87    55    59    58.35000  112.70000
   87    83    84    37.50000  110.70000
   87    83    85    37.50000  110.70000
   87    91    92    55.00000  108.50000
   91    87    88    35.00000  109.50000
   86    71    72    35.00000  109.50000
   86    71    83    50.00000  109.50000
   86    89    90    83.00000  123.40000
   86    89    93    81.00000  111.40000
   89    93    94    35.00000  109.50000
   89    93    95    35.00000  109.50000
   89    93    96    35.00000  109.50000
   93    89    90    80.00000  120.40000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   73    68    71    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    71    58.35000  112.70000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   61    55    59    58.35000  112.70000
   61    55    87    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    45   0.60050  1.0 1.0
   33    39    41    45   0.05600 -1.0 2.0
   33    39    41    45   0.26150  1.0 3.0
   33    39    43    56   0.56750  1.0 1.0
   33    39    43    56  -0.07550 -1.0 2.0
   33    39    43    56   0.20000  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    46   0.56750  1.0 1.0
   33    39    43    46  -0.07550 -1.0 2.0
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   61    55    59    65   0.20000  1.0 3.0
   61    55    59    68   0.56750  1.0 1.0
   61    55    59    68  -0.07550 -1.0 2.0
   61    55    59    68   0.20000  1.0 3.0
   61    55    87    83   0.56750  1.0 1.0
   61    55    87    83  -0.07550 -1.0 2.0
   61    55    87    83   0.20000  1.0 3.0
   61    55    87    88   0.15000  1.0 3.0
   61    55    87    91   0.86500  1.0 1.0
   61    55    87    91  -0.17500 -1.0 2.0
   61    55    87    91   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    45    41    42  10.50000 -1.0 2.0
   86    93    89    90  10.50000 -1.0 2.0
END
