* LIGAND DATABASE FILE (OPLS2005)
*
001      95    99    190    307     570
    1     0 S   NP   _N1_     1    29.07326    98.92164   -23.99268
    2     1 S   H    _HN1     2     1.02798   108.04998   -85.74087
    3     1 S   H    _H1_     3     1.02948    54.78111    14.39415
    4     1 S   H    _H2_     4     1.02826    54.64430   174.76891
    5     1 S   CT   _CA1     5     1.50134   139.80383    94.37788
    6     5 S   HC   _HA1     6     1.09576   105.14389   118.55853
    7     5 S   CO3  _C1_     7     1.53755   112.48999    -1.61870
    8     7 S   O2Z  _O11     8     1.26377   115.00104   -41.90718
    9     7 S   O2Z  _O12     9     1.26236   114.93860   137.06056
   10     5 S   CT   _CB1    10     1.53051   107.39522  -123.48905
   11    10 S   HC   HB11    11     1.09846   109.27428   -49.37535
   12    10 S   HC   HB12    12     1.09810   110.49122    67.19724
   13    10 S   CT   _CG1    13     1.53039   112.68184  -170.31253
   14    13 S   HC   HG11    14     1.09564   110.76860   -68.57315
   15    13 S   HC   HG12    15     1.09670   109.66982    50.68762
   16    13 S   C    _CD1    16     1.51818   111.86966   171.16342
   17    16 S   O    _OE1    17     1.22765   123.13289    14.64268
   18    16 S   N    _N2_    18     1.38639   111.91969  -165.27940
   19    18 S   H    _HN2    19     1.01577   118.99787     0.56510
   20    18 S   CT1  _CA2    20     1.46220   123.35057   175.78871
   21    20 S   HC   _HA2    21     1.09736   109.29179     8.79893
   22    20 S   C    _C2_    22     1.53699   108.81004  -106.74537
   23    22 S   O    _O2_    23     1.23087   122.22700  -148.21174
   24    20 S   CT   _CB2    32     1.53266   111.66884   130.86897
   25    24 S   HC   HB21    33     1.09502   110.04602    56.90451
   26    24 S   HC   HB22    34     1.09529   110.12347   175.88810
   27    22 S   N    _N3_    24     1.38305   113.89969    39.23862
   28    27 S   H    _HN3    25     1.01533   119.65190    -2.96372
   29    24 S   S    _SG2    35     1.82599   111.65980   -64.46848
   30    27 S   CT   _CA3    26     1.45286   123.31607   177.32299
   31    30 S   HC   HA31    27     1.09545   107.49383   -65.43741
   32    30 S   HC   HA32    28     1.09554   108.02697    51.03732
   33    29 S   CT   _C10    36     1.86248    99.31582   179.50782
   34    33 S   HC   _H3_    37     1.09578   107.55373    16.46663
   35    30 S   CO3  _C3_    29     1.52988   114.01488   173.05124
   36    35 S   O2Z  _O31    30     1.26390   116.07651    -0.46013
   37    35 S   O2Z  _O32    31     1.26423   114.42103   179.60140
   38    33 S   CM   _C5_    38     1.51427   107.23395  -101.25572
   39    38 S   CMA  _C4_    39     1.36221   126.49419  -113.80388
   40    39 S   OM   _O23    40     1.26002   126.20035   173.23972
   41    38 S   OS   _O30    91     1.39849   113.83362    61.92745
   42    39 S   CT   _C17    41     1.60383   120.51480    -7.88078
   43    41 S   CT   _C25    92     1.42655   110.69749    88.01846
   44    43 S   HC   _H57    93     1.09396   107.82268   176.52571
   45    43 S   HC   _H58    94     1.09524   111.45137    58.04873
   46    43 S   HC   _H59    95     1.09453   111.16668   -65.31099
   47    42 S   CT   _C11    42     1.59433   104.63090    30.92810
   48    47 S   HC   _H39    43     1.10097   106.25909    56.05877
   49    42 S   CT   _C22    87     1.55514   105.33249   -87.02339
   50    49 S   HC   _H48    88     1.09003   112.54211   156.13087
   51    49 S   HC   _H49    89     1.09685   112.25838    36.51184
   52    49 S   HC   _H50    90     1.09383   112.12419   -81.80788
   53    47 S   CT   _C8_    44     1.53280   115.06337   171.34982
   54    53 S   HC   _H34    45     1.09325   110.87112    69.10486
   55    53 S   HC   _H35    46     1.09696   109.01832  -174.48061
   56    33 S   CT   _C13    81     1.54532   112.18315   133.75952
   57    56 S   HC   _H41    82     1.09691   106.79509  -159.59290
   58    53 S   CT   _C14    47     1.52722   111.87268   -57.14577
   59    58 S   HC   _H42    48     1.09813   107.34058  -177.64266
   60    56 S   CT   _C21    83     1.53712   112.94598   -46.23623
   61    60 S   HC   _H45    84     1.09433   112.45220    75.99480
   62    60 S   HC   _H46    85     1.09571   110.78192   -45.56189
   63    60 S   HC   _H47    86     1.09553   110.64476  -163.60425
   64    58 S   CT   _C18    49     1.53561   112.10063    60.63268
   65    58 S   OS   _O25    63     1.44181   106.73179   -64.59678
   66    42 S   CT   _C12    50     1.62404   116.75147   151.24364
   67    66 S   HC   _H40    51     1.09923   102.29227   -43.24906
   68    64 S   CT   _C23    77     1.56486   105.49323    69.00225
   69    68 S   HC   _H51    78     1.09657   111.02770    59.04011
   70    68 S   HC   _H52    79     1.08795   113.24743   -59.40122
   71    68 S   HC   _H53    80     1.08859   114.51106   179.49642
   72    66 S   CT   _C15    52     1.56362   119.19499    73.67246
   73    72 S   HC   _H43    53     1.09360   110.41693    74.34862
   74    72 S   CT   _C16    54     1.52007   110.01397  -162.59058
   75    74 S   HC   _H44    55     1.09888   109.99803    60.38018
   76    74 S   CT   _C20    56     1.53169   113.96675   -63.79550
   77    74 S   OS   _O27    72     1.43046   102.56305   172.81367
   78    64 S   CT   _C19    57     1.59052   107.38370  -174.32418
   79    76 S   CT   _C24    66     1.53795   110.00342   179.30255
   80    79 S   HC   _H54    67     1.09472   111.46564   178.75793
   81    79 S   HC   _H55    68     1.09669   110.81987    61.35507
   82    79 S   HC   _H56    69     1.09401   112.30733   -58.97623
   83    76 S   OH   _O29    70     1.43421   108.68272   -66.17590
   84    83 S   HO   _H61    71     0.97365   107.54623   -49.47229
   85    77 S   CO   _C9_    73     1.43487   102.91657   -34.92635
   86    85 S   HC   _H36    74     1.09397   109.65565  -106.83026
   87    85 S   HC   _H37    75     1.09406   109.10195   133.27579
   88    78 S   CT   _C7_    58     1.53994   110.52338    51.67445
   89    88 S   HC   _H32    59     1.09778   109.28611  -162.61628
   90    88 S   HC   _H33    60     1.09422   111.88982    78.33496
   91    78 S   OH   _O28    64     1.44109   108.06647   -63.57225
   92    91 S   HO   _H60    65     0.97098   108.93485  -177.84333
   93    72 S   OS   _O26    76     1.42145   120.32232   -46.72442
   94    88 S   CO4  _C6_    61     1.50299   116.11969   -43.44251
   95    94 S   O    _O24    62     1.22866   121.35965  -153.59839
  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   9   5   4   3
  16   7   2   1   1  14  16   5   6  22   3   2   1   1  21   9
   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1  21
   8  16   6   8   3   2   1  12   6  16   7  16   7  13   7   3
   2   1   3   1   3   2   1   6   4   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    56    57    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    47    48    53    56    57    60    61    62    63    41    43  
   38    39    47    56    57    60    41  
   36    37  
   37  
    0  
   39    40    42    47    66    56    57    60    49    41    43    44    45    46  
   40    42    47    48    53    64    66    67    72    56    49    50    51    52    41    43  
   42    47    66    49    41  
   43    44    45    46    42    56  
   47    48    53    54    55    58    64    66    67    72    73    74    78    93    68    56    57    60    49    50    51    52  
   44    45    46  
   45    46  
   46  
    0  
   48    53    54    55    58    59    64    66    67    72    65    56    57    60    61    62    63    49    50    51    52  
   53    54    55    58    66    56    57    60    49  
   50    51    52    53    56    64    66    67    72  
   51    52    66  
   52    66  
   66  
   54    55    58    59    64    66    78    94    65    68    56    57    60  
   55    58    59    64    65    56  
   58    59    64    65    56  
   57    60    61    62    63    58    66  
   60    61    62    63  
   59    64    66    67    72    76    78    88    94    95    65    91    68    69    70    71  
   64    66    78    94    65    68  
   61    62    63  
   62    63  
   63  
    0  
   66    67    72    73    74    76    78    88    89    90    94    65    91    92    79    83    93    68    69    70    71  
   68    66    78    88    89    90    94    95  
   67    72    73    74    75    76    78    88    91    77    85    93    68    69    70    71  
   72    73    74    78    93    68  
   69    70    71    72    76    78    88    91  
   70    71    78  
   71    78  
   78  
   73    74    75    76    78    79    83    77    85    86    87    93  
   74    75    76    77    85    93  
   75    76    78    88    91    79    80    81    82    83    84    77    85    86    87    93  
   76    78    79    83    77    85    93  
   78    88    89    90    94    91    92    79    80    81    82    83    84    77    85    93  
   85    86    87    93    78    79    83  
   88    89    90    94    95    91    92    79    80    81    82    83    84  
   80    81    82    83    84    88    91  
   81    82    83  
   82    83  
   83  
   84    88    91  
    0  
   86    87    93  
   87    93  
   93  
   89    90    94    95    91    92  
   90    94    95    91  
   94    95    91  
   92    94  
    0  
    0  
   95  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   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
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    56   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    47   268.000  1.529
   42    66   268.000  1.529
   42    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    65   320.000  1.410
   64    66   268.000  1.529
   64    78   268.000  1.529
   64    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    93   320.000  1.410
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    77   320.000  1.410
   76    78   268.000  1.529
   76    79   268.000  1.529
   76    83   320.000  1.410
   78    88   268.000  1.529
   78    91   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    94   317.000  1.522
   94    95   570.000  1.229
   94    65   214.000  1.327
   91    92   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   553.000  0.945
   77    85   320.000  1.380
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    93   320.000  1.380
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   41    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    56    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    56    47    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    43    90.00000  111.18400
   39    42    47    70.00000  112.02700
   39    42    66    70.00000  112.02700
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    47    48    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    47    56    58.35000  112.70000
   42    66    64    58.35000  112.70000
   42    66    67    37.50000  110.70000
   42    66    72    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    58    58.35000  112.70000
   47    56    57    37.50000  110.70000
   47    56    60    58.35000  112.70000
   53    47    48    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    64    58.35000  112.70000
   53    58    65    50.00000  109.50000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    64    66    58.35000  112.70000
   58    64    78    58.35000  112.70000
   58    64    68    58.35000  112.70000
   58    65    94    83.00000  116.90000
   64    58    59    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    72    58.35000  112.70000
   64    78    76    58.35000  112.70000
   64    78    88    58.35000  112.70000
   64    78    91    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    42    47    58.35000  112.70000
   66    72    73    37.50000  110.70000
   66    72    74    58.35000  112.70000
   66    72    93    50.00000  109.50000
   72    66    67    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    58.35000  112.70000
   72    74    77    50.00000  109.50000
   72    93    85    60.00000  109.50000
   74    72    73    37.50000  110.70000
   74    76    78    58.35000  112.70000
   74    76    79    58.35000  112.70000
   74    76    83    50.00000  109.50000
   74    77    85    60.00000  109.50000
   76    74    75    37.50000  110.70000
   76    78    88    58.35000  112.70000
   76    78    91    50.00000  109.50000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    37.50000  110.70000
   76    83    84    55.00000  108.50000
   78    64    66    58.35000  112.70000
   78    88    89    37.50000  110.70000
   78    88    90    37.50000  110.70000
   78    88    94    63.00000  111.10000
   78    91    92    55.00000  108.50000
   88    94    95    80.00000  120.40000
   88    94    65    81.00000  111.40000
   90    88    89    33.00000  107.80000
   94    88    89    35.00000  109.50000
   94    88    90    35.00000  109.50000
   65    58    59    35.00000  109.50000
   65    58    64    50.00000  109.50000
   65    94    95    83.00000  123.40000
   91    78    88    50.00000  109.50000
   79    76    78    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    76    78    50.00000  109.50000
   83    76    79    50.00000  109.50000
   77    74    75    35.00000  109.50000
   77    74    76    50.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    93    92.60000  111.55000
   87    85    86    33.00000  109.50000
   93    72    73    35.00000  109.50000
   93    72    74    50.00000  109.50000
   93    85    86    35.00000  109.50000
   93    85    87    35.00000  109.50000
   68    64    66    58.35000  112.70000
   68    64    78    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
   56    33    34    37.50000  110.70000
   56    33    38    70.00000  112.02700
   56    47    48    37.50000  110.70000
   56    47    53    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    42    47    58.35000  112.70000
   49    42    66    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
   41    38    39    80.00000  120.01400
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    43   2.00000 -1.0 2.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    62   0.15000  1.0 3.0
   33    56    60    63   0.15000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.15000  1.0 3.0
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   57    56    60    63   0.15000  1.0 3.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    53   0.56750  1.0 1.0
   49    42    47    53  -0.07550 -1.0 2.0
   49    42    47    53   0.20000  1.0 3.0
   49    42    47    56   0.56750  1.0 1.0
   49    42    47    56  -0.07550 -1.0 2.0
   49    42    47    56   0.20000  1.0 3.0
   49    42    66    64   0.56750  1.0 1.0
   49    42    66    64  -0.07550 -1.0 2.0
   49    42    66    64   0.20000  1.0 3.0
   49    42    66    67   0.15000  1.0 3.0
   49    42    66    72   0.56750  1.0 1.0
   49    42    66    72  -0.07550 -1.0 2.0
   49    42    66    72   0.20000  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   88    65    94    95  10.50000 -1.0 2.0
END
