* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    192    324     590
    1     0 S   NP   _N1_     1    28.86451    95.04175   -19.66809
    2     1 S   H    _HN1     2     1.02797    74.94707   -88.04903
    3     1 S   H    _H1_     3     1.02942    95.68828    19.24568
    4     1 S   H    _H2_     4     1.02856    40.73237   129.21762
    5     1 S   CT   _CA1     5     1.50100   147.62557   164.41894
    6     5 S   HC   _HA1     6     1.09585   105.30051    36.42467
    7     5 S   CO3  _C1_     7     1.53981   111.64862   -83.53093
    8     7 S   O2Z  _O11     8     1.26404   115.26969   -63.10341
    9     7 S   O2Z  _O12     9     1.26231   114.86531   115.80877
   10     5 S   CT   _CB1    10     1.53098   107.34493   153.96601
   11    10 S   HC   HB11    11     1.09826   109.79449   -49.52167
   12    10 S   HC   HB12    12     1.09814   110.30028    66.99251
   13    10 S   CT   _CG1    13     1.53050   112.46858  -170.44490
   14    13 S   HC   HG11    14     1.09534   110.58411   -51.41892
   15    13 S   HC   HG12    15     1.09608   110.15701    67.51434
   16    13 S   C    _CD1    16     1.51812   111.65524  -172.35666
   17    16 S   O    _OE1    17     1.22771   123.01604   -16.94112
   18    16 S   N    _N2_    18     1.38514   111.97568   163.73094
   19    18 S   H    _HN2    19     1.01593   119.11769     1.93775
   20    18 S   CT1  _CA2    20     1.46223   123.32986  -176.03889
   21    20 S   HC   _HA2    21     1.09721   109.51831    -5.10093
   22    20 S   C    _C2_    22     1.53353   108.68241  -121.12599
   23    22 S   O    _O2_    23     1.23033   122.14458  -145.43395
   24    20 S   CT   _CB2    32     1.53554   110.98003   116.67096
   25    24 S   HC   HB21    33     1.09000   108.88340    60.04595
   26    24 S   HC   HB22    34     1.09538   110.31266   177.54393
   27    22 S   N    _N3_    24     1.38476   113.50536    41.92315
   28    27 S   H    _HN3    25     1.01512   118.96372    -0.48335
   29    24 S   S    _SG2    35     1.83102   111.16247   -63.62596
   30    27 S   CT   _CA3    26     1.45443   123.37128   175.36413
   31    30 S   HC   HA31    27     1.09529   109.17102    25.88333
   32    30 S   HC   HA32    28     1.09496   107.14077   142.83893
   33    29 S   CT   _C23    36     1.89926   103.88079   145.85864
   34    30 S   CO3  _C3_    29     1.52915   113.14248   -97.57088
   35    34 S   O2Z  _O31    30     1.26401   115.39985   -45.77891
   36    34 S   O2Z  _O32    31     1.26359   115.00112   135.19420
   37    33 S   CO4  _C10    37     1.53772   105.88229    43.85488
   38    37 S   O    _O26    38     1.22971   122.20055   -98.95543
   39    33 S   CT   _C18    49     1.55377   108.16217   159.40055
   40    39 S   HC   _H49    50     1.10006   110.07366  -171.24456
   41    37 S   CA   _C6_    39     1.48918   118.52957    77.97353
   42    39 S   CT   _C20    51     1.54136   113.21612    69.66694
   43    42 S   HC   _H51    52     1.09546   111.79966   -67.88864
   44    41 S   CA   _C4_    40     1.39886   118.36374  -170.54836
   45    44 S   HA   _H38    41     1.08742   121.23226    -1.84610
   46    42 S   CT   _C15    53     1.53208   111.23589    55.97729
   47    46 S   HC   _H44    54     1.09208   107.80641    68.69852
   48    46 S   HC   _H45    55     1.09834   108.21296  -177.52963
   49    42 S   OH   _O34    77     1.43111   109.90084   173.38645
   50    49 S   HO   _H62    78     0.97379   107.24023    65.58173
   51    44 S   CA   _C5_    42     1.39504   120.32735   177.65882
   52    51 S   HA   _H39    43     1.08787   118.57257   179.58788
   53    46 S   CT   _C25    56     1.53440   113.14738   -55.01576
   54    51 S   CA   _C8_    44     1.40238   120.95567    -0.63087
   55    53 S   CT   _C16    57     1.54953   112.79551   178.98144
   56    55 S   HC   _H46    58     1.09886   109.76981    48.69310
   57    55 S   HC   _H47    59     1.10110   107.86965   160.31866
   58    53 S   OH   _O37    75     1.43722   106.14924   -66.23014
   59    58 S   HO   _H65    76     0.97574   108.37132   -67.50812
   60    54 S   CA   _C9_    45     1.40702   118.33018     1.47817
   61    55 S   CT   _C26    60     1.54029   117.53543   -77.35658
   62    54 S   CT   _C17    81     1.51876   120.42082   179.43007
   63    62 S   HC   _H48    82     1.09736   109.10533   151.80918
   64    41 S   CA   _C7_    46     1.39977   121.79593     7.80509
   65    61 S   CT   _C13    61     1.52649   111.80638   -44.04782
   66    65 S   HC   _H40    62     1.09654   111.33335   -75.53747
   67    65 S   HC   _H41    63     1.09688   110.90507   167.37174
   68    61 S   CT   _C28    69     1.53145   113.69703    82.79148
   69    68 S   HC   _H57    70     1.09569   110.98029    46.29663
   70    68 S   HC   _H58    71     1.09112   113.09087   -76.12104
   71    68 S   HC   _H59    72     1.09692   110.45185   163.70873
   72    61 S   OH   _O38    73     1.43759   106.99887  -160.54505
   73    72 S   HO   _H66    74     0.97318   107.89779   -56.21584
   74    60 S   OH   _O30    79     1.37239   116.93479   178.00002
   75    74 S   HO   _H60    80     0.97354   109.29749   175.93519
   76    62 S   CT   _C14    83     1.53010   110.74937   -86.48624
   77    76 S   HC   _H42    84     1.09713   111.27711   -59.49341
   78    76 S   HC   _H43    85     1.09898   110.39224    57.65919
   79    64 S   CO4  _C11    47     1.48526   119.13825     3.98674
   80    79 S   O    _O27    48     1.22679   120.34154  -165.78330
   81    65 S   CO4  _C12    64     1.51485   111.08377    45.62037
   82    81 S   O    _O28    65     1.23024   120.10174   121.64208
   83    76 S   CT   _C19    86     1.52616   110.69212   177.95905
   84    83 S   HC   _H50    87     1.09674   110.38826    70.34516
   85    33 S   CT   _C24    66     1.57808   112.60981   -79.79996
   86    83 S   CT   _C21    88     1.53177   110.74654   -51.71111
   87    86 S   HC   _H52    89     1.09709   108.90882   -70.94605
   88    83 S   OH   _O33    99     1.42576   109.32626  -172.05426
   89    88 S   HO   _H61   100     0.97244   107.59828   -59.05316
   90    85 S   OH   _O36    67     1.43397   110.45466    53.53976
   91    90 S   HO   _H64    68     0.97424   107.67100    60.62006
   92    86 S   CT   _C22    90     1.53441   110.77183    50.42973
   93    92 S   HC   _H53    91     1.09799   110.37455    66.40968
   94    86 S   OH   _O35    97     1.42678   109.79950   172.22542
   95    94 S   HO   _H63    98     0.97226   108.09664   -58.60693
   96    62 S   OS   _O29    92     1.43426   109.73081    34.93425
   97    92 S   CT   _C27    93     1.52518   111.60112  -174.00557
   98    97 S   HC   _H54    94     1.09564   110.91281    60.54409
   99    97 S   HC   _H55    95     1.09396   111.69561   -60.94271
  100    97 S   HC   _H56    96     1.09555   110.28302   178.39648
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  22   2   1   1  15   5  17   8  11  13   7   8   4  15   6   5
   3   1   9   3  14  13  17   7   6   5   1   9  12  14   6   4
  12   6   5   6   3   2   1   2   1   2   1  11   6   5   2   1
   4   2  11   6   2  12   7   3   1   1   1   8   6   3   1   4
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    85    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    79    39    40    42    53    81    85    90  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    64    79    80    39    40    42    43    46    53    55    65    81    82    85    90    91    58    49  
   35    36  
   36  
    0  
   38    41    44    45    51    60    64    79    39    40    42    53    81    85    90  
   41    44    64    39    85  
   40    42    43    46    47    48    53    81    85    90    49    50    41    60    64    79    80  
   42    43    46    85    49    64    79    80  
   44    45    51    52    54    60    64    79    80    85    74  
   43    46    47    48    53    55    85    58    49    50    64    79    80  
   46    47    48    53    49    50    79  
   45    51    52    54    60    64    79    62  
   51    52    54    64  
   47    48    53    55    56    57    61    81    85    90    58    59    49    50    79  
   48    53    55    85    58    49  
   53    55    85    58    49  
   50    53    79  
    0  
   52    54    60    64    74    62    63    76    96  
   54    60    62  
   55    56    57    61    65    81    82    85    90    91    68    72    58    59  
   60    64    79    74    75    62    63    76    77    78    83    92    96  
   56    57    61    65    66    67    81    85    90    68    69    70    71    72    73    58    59  
   57    61    65    85    68    72    58  
   61    65    85    68    72    58  
   59    61    81    85    90  
   85  
   64    79    80    74    75    62    63    76    96  
   65    66    67    81    82    85    68    69    70    71    72    73  
   63    76    77    78    83    84    86    92    93    96    97    88    64    74  
   76    77    78    83    92    96  
   79    80    74    75  
   66    67    81    82    85    90    68    69    70    71    72    73  
   67    81    82    85    68    72  
   81    82    85    68    72  
   69    70    71    72    73    81  
   70    71    72  
   71    72  
   72  
   73    81  
    0  
   75    79  
    0  
   77    78    83    84    86    87    92    96    94    88    89  
   78    83    84    86    96    88  
   83    84    86    96    88  
   80    85  
    0  
   82    85    90    91  
   85    90  
   84    86    87    92    93    96    97    94    95    88    89  
   86    87    92    94    88    89  
   90    91  
   87    92    93    96    97    98    99   100    94    95    88    89  
   92    93    96    97    94    95    88  
   89    92    94  
    0  
   91  
    0  
   93    96    97    98    99   100    94    95  
   96    97    98    99   100    94  
   95    96    97  
    0  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    85   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    64   469.000  1.400
   44    45   367.000  1.080
   44    51   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    60   469.000  1.400
   54    62   317.000  1.510
   60    64   469.000  1.400
   60    74   450.000  1.364
   64    79   310.000  1.470
   79    80   570.000  1.229
   79    39   317.000  1.522
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    55   268.000  1.529
   53    85   268.000  1.529
   53    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    65   268.000  1.529
   61    68   268.000  1.529
   61    72   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    81   317.000  1.522
   81    82   570.000  1.229
   81    85   317.000  1.522
   85    90   320.000  1.410
   90    91   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   58    59   553.000  0.945
   49    50   553.000  0.945
   74    75   553.000  0.945
   62    63   340.000  1.090
   62    76   268.000  1.529
   62    96   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    86   268.000  1.529
   83    88   320.000  1.410
   86    87   340.000  1.090
   86    92   268.000  1.529
   86    94   320.000  1.410
   92    93   340.000  1.090
   92    96   320.000  1.410
   92    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   94    95   553.000  0.945
   88    89   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    39    75.00000  111.63000
   29    33    85    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    39    79    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    85    53    58.35000  112.70000
   33    85    81    63.00000  111.10000
   33    85    90    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    64    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    35.00000  120.00000
   41    44    51    63.00000  120.00000
   41    64    60    63.00000  120.00000
   41    64    79    60.00000  119.52600
   44    51    52    35.00000  120.00000
   44    51    54    63.00000  120.00000
   51    44    45    35.00000  120.00000
   51    54    60    63.00000  120.00000
   51    54    62    70.00000  120.00000
   54    51    52    35.00000  120.00000
   54    60    64    63.00000  120.00000
   54    60    74    70.00000  120.00000
   54    62    63    35.00000  109.50000
   54    62    76    70.00000  112.17500
   54    62    96    85.00000  111.85700
   60    64    79    60.00000  119.52600
   60    74    75    35.00000  113.00000
   64    41    44    63.00000  120.00000
   64    79    80    75.00000  123.78400
   64    79    39    65.00000  115.47100
   79    39    40    35.00000  109.50000
   79    39    42    63.00000  111.10000
   39    33    37    63.00000  111.10000
   39    79    80    80.00000  120.40000
   39    42    43    37.50000  110.70000
   39    42    46    58.35000  112.70000
   39    42    49    50.00000  109.50000
   42    39    40    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    53    58.35000  112.70000
   42    49    50    55.00000  108.50000
   46    42    43    37.50000  110.70000
   46    53    55    58.35000  112.70000
   46    53    85    58.35000  112.70000
   46    53    58    50.00000  109.50000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    61    58.35000  112.70000
   53    85    81    63.00000  111.10000
   53    85    90    50.00000  109.50000
   53    58    59    55.00000  108.50000
   55    61    65    58.35000  112.70000
   55    61    68    58.35000  112.70000
   55    61    72    50.00000  109.50000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    81    63.00000  111.10000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   61    72    73    55.00000  108.50000
   65    81    82    80.00000  120.40000
   65    81    85    70.00000  116.00000
   67    65    66    33.00000  107.80000
   81    65    66    35.00000  109.50000
   81    65    67    35.00000  109.50000
   81    85    90    90.00000  109.61100
   85    33    37    63.00000  111.10000
   85    33    39    58.35000  112.70000
   85    53    55    58.35000  112.70000
   85    81    82    80.00000  120.40000
   85    90    91    55.00000  108.50000
   68    61    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    61    65    50.00000  109.50000
   72    61    68    50.00000  109.50000
   58    53    55    50.00000  109.50000
   58    53    85    50.00000  109.50000
   49    42    43    35.00000  109.50000
   49    42    46    50.00000  109.50000
   74    60    64    70.00000  120.00000
   62    54    60    70.00000  120.00000
   62    76    77    37.50000  110.70000
   62    76    78    37.50000  110.70000
   62    76    83    58.35000  112.70000
   62    96    92    60.00000  109.50000
   76    62    63    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    86    58.35000  112.70000
   76    83    88    50.00000  109.50000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    92    58.35000  112.70000
   83    86    94    50.00000  109.50000
   83    88    89    55.00000  108.50000
   86    83    84    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    96    50.00000  109.50000
   86    92    97    58.35000  112.70000
   86    94    95    55.00000  108.50000
   92    86    87    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   96    62    63    35.00000  109.50000
   96    62    76    50.00000  109.50000
   96    92    93    35.00000  109.50000
   97    92    93    37.50000  110.70000
   97    92    96    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   94    86    87    35.00000  109.50000
   94    86    92    50.00000  109.50000
   88    83    84    35.00000  109.50000
   88    83    86    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    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
   24    29    33    85   0.01700  1.0 1.0
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   92    86    94    95  -0.11600  1.0 1.0
   92    86    94    95  -0.09450 -1.0 2.0
   92    86    94    95   0.21250  1.0 3.0
   93    92    96    62   0.37050  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   96    62    76    77   0.23400  1.0 3.0
   96    62    76    78   0.23400  1.0 3.0
   96    62   -76    83   0.62750  1.0 1.0
   96    62   -76    83  -0.30950 -1.0 2.0
   96    62   -76    83   0.27300  1.0 3.0
   96    92    97    98   0.23400  1.0 3.0
   96    92    97    99   0.23400  1.0 3.0
   96    92    97   100   0.23400  1.0 3.0
   97    92    96    62   0.06250  1.0 1.0
   97    92    96    62  -0.01100 -1.0 2.0
   97    92    96    62   0.28050  1.0 3.0
   94    86    92    93   0.23400  1.0 3.0
   94    86    92    96   3.69350  1.0 1.0
   94    86    92    96  -1.82950 -1.0 2.0
   94    86    92    97   0.86500  1.0 1.0
   94    86    92    97  -0.17500 -1.0 2.0
   94    86    92    97   0.20800  1.0 3.0
   88    83    86    87   0.23400  1.0 3.0
   88    83    86    92   0.86500  1.0 1.0
   88    83    86    92  -0.17500 -1.0 2.0
   88    83    86    92   0.20800  1.0 3.0
   88    83    86    94   3.75450  1.0 1.0
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    41    37    38  10.50000 -1.0 2.0
   44    64    41    37   4.00000 -1.0 2.0
   51    45    44    41   1.10000 -1.0 2.0
   54    52    51    44   1.10000 -1.0 2.0
   60    62    54    51   4.00000 -1.0 2.0
   64    74    60    54   4.00000 -1.0 2.0
   60    79    64    41   4.00000 -1.0 2.0
   64    39    79    80  10.50000 -1.0 2.0
   65    85    81    82  10.50000 -1.0 2.0
END
