* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    196    321     595
    1     0 S   NP   _N1_     1    28.12054    94.78732   -24.72970
    2     1 S   H    _HN1     2     1.02776   107.04297  -105.41473
    3     1 S   H    _H1_     3     1.02957    86.62295     2.73874
    4     1 S   H    _H2_     4     1.02835    22.38579   158.87059
    5     1 S   CT   _CA1     5     1.50125   128.35298   116.21144
    6     5 S   HC   _HA1     6     1.09574   105.22288    75.19645
    7     5 S   CO3  _C1_     7     1.53792   112.37013   -45.00938
    8     7 S   O2Z  _O11     8     1.26365   114.99817   -43.80533
    9     7 S   O2Z  _O12     9     1.26237   114.93408   135.32468
   10     5 S   CT   _CB1    10     1.53098   107.42533  -166.88235
   11    10 S   HC   HB11    11     1.09826   109.35099   -50.50648
   12    10 S   HC   HB12    12     1.09816   110.41896    66.05758
   13    10 S   CT   _CG1    13     1.53010   112.65754  -171.57988
   14    13 S   HC   HG11    14     1.09597   110.47862   -64.02012
   15    13 S   HC   HG12    15     1.09655   109.93345    55.17538
   16    13 S   C    _CD1    16     1.51836   112.33876   175.55807
   17    16 S   O    _OE1    17     1.22743   123.29918    -0.38410
   18    16 S   N    _N2_    18     1.38538   111.66856   179.56749
   19    18 S   H    _HN2    19     1.01560   119.01888     4.72070
   20    18 S   CT1  _CA2    20     1.45896   122.97816   178.17265
   21    20 S   HC   _HA2    21     1.09716   109.01461    22.46562
   22    20 S   C    _C2_    22     1.52863   106.69297   -94.75179
   23    22 S   O    _O2_    23     1.23004   122.89815   -30.32350
   24    20 S   CT   _CB2    32     1.53318   112.04725   145.66841
   25    24 S   HC   HB21    33     1.09323   109.49873    55.23193
   26    24 S   HC   HB22    34     1.09487   109.71720   173.79300
   27    22 S   N    _N3_    24     1.38465   112.71083   152.31192
   28    27 S   H    _HN3    25     1.01659   120.40922    -1.21997
   29    24 S   S    _SG2    35     1.83125   110.38854   -66.57906
   30    27 S   CT   _CA3    26     1.45364   122.37982   178.78711
   31    30 S   HC   HA31    27     1.09566   107.51908   -62.41993
   32    30 S   HC   HA32    28     1.09571   107.87332    53.87522
   33    29 S   CT   _C19    36     1.89900   103.15843   166.89260
   34    30 S   CO3  _C3_    29     1.52876   114.44758   175.87218
   35    34 S   O2Z  _O31    30     1.26318   116.10908    -0.43024
   36    34 S   O2Z  _O32    31     1.26458   114.38465   179.63684
   37    33 S   CM   _C4_    37     1.51705   105.84984    48.98224
   38    37 S   HC   _H32    38     1.09119   115.75101   -83.57838
   39    33 S   CT   _C10    54     1.54618   106.47532   -69.90760
   40    39 S   HC   _H37    55     1.09593   111.45885    61.29389
   41    39 S   HC   _H38    56     1.09786   110.41121   -56.19560
   42    37 S   CMA  _C5_    39     1.35025   127.01482    94.67391
   43    42 S   OM   _O25    40     1.26343   127.96486  -176.61204
   44    42 S   CT   _C14    41     1.54142   119.78364     0.81421
   45    44 S   HC   _H45    42     1.10269   107.21773  -117.02414
   46    44 S   CT   _C12    43     1.55295   114.79882    -0.97136
   47    46 S   HC   _H41    44     1.09666   110.42625   156.13266
   48    46 S   HC   _H42    45     1.09926   106.86737   -91.88688
   49    44 S   CT   _C24    96     1.54581   113.61330   127.20984
   50    49 S   HC   _H53    97     1.09301   112.41197   -54.19087
   51    49 S   HC   _H54    98     1.09539   111.04412  -175.68643
   52    49 S   HC   _H55    99     1.09609   111.12233    66.03716
   53    33 S   CT   _C21    46     1.59018   112.28217   169.49970
   54    53 S   CT   _C17    47     1.59787   109.68790   171.65033
   55    54 S   HC   _H48    48     1.09728   106.20979    60.76695
   56    53 S   CT   _C25    92     1.55565   111.48558    49.33449
   57    56 S   HC   _H56    93     1.09304   112.40996    69.31018
   58    56 S   HC   _H57    94     1.09318   112.85266   -52.13277
   59    56 S   HC   _H58    95     1.09324   111.66038  -168.92509
   60    54 S   CT   _C15    49     1.56041   112.93918   -53.08441
   61    60 S   HC   _H46    50     1.09453   109.81360   -66.05127
   62    54 S   CT   _C18    70     1.56210   116.43495   176.39163
   63    62 S   HC   _H49    71     1.09365   109.32615   -58.27523
   64    60 S   CT   _C8_    51     1.53147   111.02752    52.94561
   65    64 S   HC   _H33    52     1.09680   109.72582  -174.26704
   66    64 S   HC   _H34    53     1.09730   110.20926    69.04764
   67    60 S   CT   _C16    57     1.54008   108.62584   173.84961
   68    67 S   HC   _H47    58     1.10303   105.85334   -58.41659
   69    62 S   OH   _O28    72     1.42044   111.93138    59.23780
   70    69 S   HO   _H64    73     0.97224   107.76469  -174.85087
   71    67 S   CT   _C9_    59     1.52283   118.64125  -176.78034
   72    71 S   HC   _H35    60     1.09482   112.18556    75.62737
   73    71 S   HC   _H36    61     1.09584   111.45777   -45.09942
   74    71 S   CT   _C11    62     1.53997   104.10809  -164.25967
   75    74 S   HC   _H39    63     1.09519   108.48712   132.86761
   76    74 S   HC   _H40    64     1.09618   109.76820  -110.17611
   77    74 S   CT   _C20    65     1.55743   106.77784    10.71687
   78    67 S   CT   _C22    66     1.54786   114.27394    60.52305
   79    77 S   CO4  _C6_    78     1.53862   112.87674   144.50698
   80    79 S   O    _O26    79     1.23281   121.54232    -3.88368
   81    77 S   OH   _O29    90     1.42814   107.96498   -98.62038
   82    81 S   HO   _H65    91     0.97291   108.26649   -55.50254
   83    78 S   CT   _C13    67     1.54587   106.54131   -60.37858
   84    83 S   HC   _H43    68     1.09693   110.10055   -65.60988
   85    83 S   HC   _H44    69     1.09467   109.88251   177.15696
   86    78 S   CT   _C26    74     1.55251   113.06860    62.05512
   87    86 S   HC   _H59    75     1.09513   112.48123    70.48984
   88    86 S   HC   _H60    76     1.09142   113.27840   -49.65819
   89    86 S   HC   _H61    77     1.09544   110.74222  -170.11875
   90    79 S   CT   _C27    80     1.52051   117.58964   175.92802
   91    90 S   HC   _H62    81     1.09256   108.81183    75.38666
   92    90 S   HC   _H63    82     1.09370   109.66869   -46.68709
   93    90 S   OS   _O30    83     1.43047   108.63778  -165.91039
   94    93 S   CO4  _C7_    84     1.36258   115.23218  -178.30811
   95    94 S   O    _O27    85     1.22340   126.18561    -0.06256
   96    94 S   CT   _C23    86     1.49832   109.63491   179.95577
   97    96 S   HC   _H50    87     1.09290   109.83578   -60.84823
   98    96 S   HC   _H51    88     1.09380   109.35664  -179.88465
   99    96 S   HC   _H52    89     1.09289   109.83396    61.06885
  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
  23   2   1   1  14   5  13   6   5  11   4  11   8  15   5   4
   4   2   1   1  14  21   9   5   2   1   1  17   8  11   6   6
   2   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5
   4   1   6   2   1   3   2   1   1   6   3   2   6   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    53    54    64    39    40    41    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    53    54    55    60    64    65    66    39    40    41    62    56    57    58    59  
   35    36  
   36  
    0  
   38    42    43    44    45    46    53    54    64    39    40    41    56    49  
   42    43    44    53    39  
   40    41    67    56    42    46    53    54    60    61    64    65    66  
   41    53    60    64    65    66  
   53    60    64    65    66  
   43    44    45    46    47    48    53    49    50    51    52  
   44    45    46    49  
   45    46    47    48    53    54    56    49    50    51    52  
   46    47    48    53    49    50    51    52  
   47    48    53    54    55    60    62    56    57    58    59    49    50    51    52  
   48    53    54    56    49  
   53    54    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    60    61    64    67    83    62    63    69    56    57    58    59  
   55    60    61    64    65    66    67    68    71    78    83    84    85    62    63    69    70    56    57    58    59  
   60    61    64    67    83    62    63    69    56  
   57    58    59    60    62  
   58    59  
   59  
    0  
   61    64    65    66    67    68    71    72    73    74    77    78    83    62    63    69    86  
   64    65    66    67    68    71    78    62  
   63    69    70    86    64    67    77    78    83    84    85  
   69    70    78    83    84    85  
   65    66    67    68    71    78  
   66    67  
   67  
   68    71    72    73    74    75    76    77    78    83    84    85    86    87    88    89    79    81  
   71    72    73    74    77    78    83    86  
   70    78    83    84    85  
   83  
   72    73    74    75    76    77    78    83    86    79    81  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78    83    86    79    80    90    81    82  
   76    77    78    79    81  
   77    78    79    81  
   78    83    84    85    86    87    88    89    79    80    90    91    92    93    81    82  
   83    84    85    86    87    88    89    79    80    90    81    82  
   80    90    91    92    93    94    81    82    83    86  
   90    91    92    93    81  
   82    83    86    90  
    0  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94    95    96  
   92    93    94  
   93    94  
   94    95    96    97    98    99  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   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   3.5500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   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    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    53   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   270.000  1.512
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    78   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    79   317.000  1.522
   77    81   320.000  1.410
   78    83   268.000  1.529
   78    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    62   268.000  1.529
   62    63   340.000  1.090
   62    69   320.000  1.410
   69    70   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   79    80   570.000  1.229
   79    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   81    82   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    53    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    53    46    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    70.00000  112.02700
   42    44    49    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    53    58.35000  112.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    53    54    58.35000  112.70000
   46    53    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    33    37    70.00000  112.02700
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    60    58.35000  112.70000
   53    54    62    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    62    83    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    69    50.00000  109.50000
   60    54    55    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    39    58.35000  112.70000
   60    67    68    37.50000  110.70000
   60    67    71    58.35000  112.70000
   60    67    78    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    41    37.50000  110.70000
   66    64    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    64    66    37.50000  110.70000
   41    39    40    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    64    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    58.35000  112.70000
   67    78    77    58.35000  112.70000
   67    78    83    58.35000  112.70000
   67    78    86    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    79    63.00000  111.10000
   74    77    81    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    83    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    79    80    80.00000  120.40000
   77    79    90    70.00000  116.00000
   77    81    82    55.00000  108.50000
   78    67    68    37.50000  110.70000
   78    67    71    58.35000  112.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    62    58.35000  112.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   83    62    63    37.50000  110.70000
   83    62    69    50.00000  109.50000
   85    83    84    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    60    58.35000  112.70000
   62    83    84    37.50000  110.70000
   62    83    85    37.50000  110.70000
   62    69    70    55.00000  108.50000
   69    62    63    35.00000  109.50000
   86    78    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   79    77    78    63.00000  111.10000
   79    90    91    35.00000  109.50000
   79    90    92    35.00000  109.50000
   79    90    93    90.00000  108.74100
   90    79    80    80.00000  120.40000
   90    93    94    83.00000  116.90000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    83.00000  123.40000
   93    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   96    94    95    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   81    77    78    50.00000  109.50000
   81    77    79    90.00000  109.61100
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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
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   95    94    96    98   0.00000  1.0 1.0
   95    94    96    99   0.00000  1.0 1.0
   81    77    78    67   0.86500  1.0 1.0
   81    77    78    67  -0.17500 -1.0 2.0
   81    77    78    67   0.20800  1.0 3.0
   81    77    78    83   0.86500  1.0 1.0
   81    77    78    83  -0.17500 -1.0 2.0
   81    77    78    83   0.20800  1.0 3.0
   81    77    78    86   0.86500  1.0 1.0
   81    77    78    86  -0.17500 -1.0 2.0
   81    77    78    86   0.20800  1.0 3.0
   81    77    79    80   0.30150 -1.0 2.0
   81    77    79    90   0.55300  1.0 1.0
   81    77    79    90   1.25850 -1.0 2.0
   81    77    79    90  -0.23600  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    62   0.56750  1.0 1.0
   56    53    54    62  -0.07550 -1.0 2.0
   56    53    54    62   0.20000  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    53   0.56750  1.0 1.0
   49    44    46    53  -0.07550 -1.0 2.0
   49    44    46    53   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   77    90    79    80  10.50000 -1.0 2.0
   93    96    94    95  10.50000 -1.0 2.0
END
