* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    196    321     594
    1     0 S   NP   _N1_     1    28.99660    97.17269   -19.38856
    2     1 S   H    _HN1     2     1.02786    86.97362   -85.43540
    3     1 S   H    _H1_     3     1.02943    72.94923    24.85879
    4     1 S   H    _H2_     4     1.02831    48.71980   157.45632
    5     1 S   CT   _CA1     5     1.50204   156.94956   127.01982
    6     5 S   HC   _HA1     6     1.09585   105.01998    83.26793
    7     5 S   CO3  _C1_     7     1.53721   112.51082   -36.48324
    8     7 S   O2Z  _O11     8     1.26417   115.13599   -38.18447
    9     7 S   O2Z  _O12     9     1.26224   114.94335   140.70482
   10     5 S   CT   _CB1    10     1.53119   107.35092  -159.02242
   11    10 S   HC   HB11    11     1.09831   108.97901   -49.35012
   12    10 S   HC   HB12    12     1.09809   110.49168    67.09532
   13    10 S   CT   _CG1    13     1.53104   112.96694  -170.45523
   14    13 S   HC   HG11    14     1.09564   110.50267   -71.28629
   15    13 S   HC   HG12    15     1.09679   109.82891    47.89697
   16    13 S   C    _CD1    16     1.52017   112.21657   167.94851
   17    16 S   O    _OE1    17     1.22749   123.19993     6.88738
   18    16 S   N    _N2_    18     1.38661   111.84312  -172.77792
   19    18 S   H    _HN2    19     1.01593   118.86934    -0.81469
   20    18 S   CT1  _CA2    20     1.46437   123.46448   175.03493
   21    20 S   HC   _HA2    21     1.09751   109.34302    -7.35002
   22    20 S   C    _C2_    22     1.53458   107.95657  -122.43406
   23    22 S   O    _O2_    23     1.23017   122.49511  -145.96111
   24    20 S   CT   _CB2    32     1.53339   111.80085   115.07304
   25    24 S   HC   HB21    33     1.09566   109.75636    52.53826
   26    24 S   HC   HB22    34     1.09460   110.75288   171.89121
   27    22 S   N    _N3_    24     1.38406   113.37668    41.50289
   28    27 S   H    _HN3    25     1.01632   119.51196    -3.59238
   29    24 S   S    _SG2    35     1.82537   111.03314   -68.41641
   30    27 S   CT   _CA3    26     1.45283   123.16267   176.97502
   31    30 S   HC   HA31    27     1.09551   107.57935   -62.72588
   32    30 S   HC   HA32    28     1.09557   107.89192    53.68353
   33    29 S   CT   _C20    36     1.86101    99.88681   168.54659
   34    33 S   HC   _H3_    37     1.09586   106.52447   -26.40442
   35    30 S   CO3  _C3_    29     1.52945   114.11181   175.64994
   36    35 S   O2Z  _O31    30     1.26370   116.06020     0.13122
   37    35 S   O2Z  _O32    31     1.26427   114.41539  -179.83098
   38    33 S   CT   _C11    38     1.53047   107.40616    89.29750
   39    38 S   HC   _H38    39     1.09642   111.15256   -49.75987
   40    38 S   HC   _H39    40     1.09563   110.99813  -168.40222
   41    38 S   CO4  _C6_    41     1.51009   111.27059    71.66690
   42    41 S   O    _O27    42     1.22945   121.82626  -150.11861
   43    41 S   CM   _C4_    43     1.48218   118.32186    33.74387
   44    43 S   HC   _H35    44     1.08492   116.20245   171.29340
   45    43 S   CM   _C5_    45     1.34444   121.63989    -4.04753
   46    45 S   CT   _C10    46     1.50970   119.20679   171.33959
   47    46 S   HC   _H36    47     1.09719   108.80673  -104.95309
   48    46 S   HC   _H37    48     1.09708   111.16340    11.67287
   49    46 S   CT   _C12    49     1.51992   112.52406   133.70883
   50    49 S   HC   _H40    50     1.09635   108.57277   177.15146
   51    49 S   HC   _H41    51     1.09799   109.42049   -66.69633
   52    49 S   CT   _C16    52     1.53605   111.81916    55.64100
   53    52 S   HC   _H48    53     1.09464   108.15727    63.48036
   54    52 S   CT   _C17    54     1.53896   110.21702  -175.95552
   55    54 S   HC   _H49    55     1.10307   105.74347    62.11515
   56    52 S   CT   _C18    69     1.56041   110.06841   -56.99398
   57    56 S   HC   _H50    70     1.09818   103.02451   -61.95546
   58    54 S   CT   _C13    56     1.52224   118.96642   -56.09529
   59    58 S   HC   _H42    57     1.09478   112.20485    75.32169
   60    58 S   HC   _H43    58     1.09574   111.48854   -45.46184
   61    33 S   CT   _C21    71     1.58276   114.29802  -145.77636
   62    58 S   CT   _C14    59     1.54105   103.97940  -164.63318
   63    62 S   HC   _H44    60     1.09521   108.51315   132.87746
   64    62 S   HC   _H45    61     1.09623   109.82478  -109.98787
   65    61 S   CT   _C24    72     1.55306   108.06355   168.75472
   66    65 S   HC   _H53    73     1.09458   111.81064   -44.99283
   67    65 S   HC   _H54    74     1.09473   112.17029  -166.36442
   68    65 S   HC   _H55    75     1.09693   111.91700    73.95449
   69    62 S   CT   _C22    62     1.55637   106.76977    10.76648
   70    54 S   CT   _C23    63     1.54934   114.21634  -179.06184
   71    69 S   CO4  _C7_    82     1.53800   113.00569   145.02267
   72    71 S   O    _O28    83     1.23297   121.45470    -1.51749
   73    69 S   OH   _O34    99     1.42657   107.98827   -97.57073
   74    73 S   HO   _H66   100     0.97415   109.12847   -60.28242
   75    70 S   CT   _C15    64     1.54649   106.98108   -60.15433
   76    75 S   HC   _H46    65     1.09666   110.08591   -66.36638
   77    75 S   HC   _H47    66     1.09470   109.94515   176.43092
   78    70 S   CT   _C25    78     1.55135   112.99528    62.37652
   79    78 S   HC   _H56    79     1.09503   112.47783    69.85744
   80    78 S   HC   _H57    80     1.09162   113.11982   -50.42159
   81    78 S   HC   _H58    81     1.09519   110.83843  -170.70307
   82    71 S   CT   _C26    84     1.51994   117.62718   178.23453
   83    82 S   HC   _H59    85     1.09288   108.63524    77.51372
   84    82 S   HC   _H60    86     1.09275   109.72987   -44.27820
   85    75 S   CT   _C19    67     1.54279   113.50142    54.02283
   86    85 S   HC   _H51    68     1.09466   107.38023  -172.60925
   87    82 S   OS   _O35    87     1.42942   108.78696  -163.57282
   88    85 S   OH   _O33    76     1.42099   109.26977    72.41343
   89    88 S   HO   _H65    77     0.97248   107.81141    57.02162
   90    87 S   CO4  _C9_    88     1.36579   115.15620  -175.32823
   91    90 S   O    _O30    89     1.22354   125.65090    -0.84996
   92    90 S   CT   _C28    90     1.51282   109.06047  -179.22418
   93    92 S   HC   _H63    91     1.09594   108.93588   -41.73443
   94    92 S   HC   _H64    92     1.09570   107.35581    75.41109
   95    92 S   CT   _C27    93     1.52346   112.67077  -164.04921
   96    95 S   HC   _H61    94     1.09724   108.44459  -169.96297
   97    95 S   HC   _H62    95     1.09710   110.01975   -53.21305
   98    95 S   CO3  _C8_    96     1.53305   116.08630    69.99157
   99    98 S   O2Z  _O26    97     1.26142   116.58610     6.96041
  100    98 S   O2Z  _O29    98     1.26508   114.08853  -173.51856
  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  10   5   4   3
  18   8   2   1   1  10   5   4   6   3   9   3  15  11   6   5
  12   5   4  18   8  22   9  15   6  11   6   5   8  11   5   4
   4   2   1   1  17  15  10   5   4   1  10   5   4   4   2   1
   1   6   3   2   3   2   6   1   1   8   4   8   5   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    56    61    65  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    52    85    56    57    61    65    66    67    68  
   38    39    40    41    45    56    61    65  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    56    61    65  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    61  
   43    44    45  
   44    45    46    47    48    49    56    61    65  
   45    46    61  
   46    47    48    49    50    51    52    85    56    57    61    65    66    67    68  
   47    48    49    50    51    52    53    54    56    61    65  
   48    49    50    51    52    61  
   49    50    51    52    61  
   50    51    52    53    54    55    58    70    85    56    57    61  
   51    52    53    54    56  
   52    53    54    56  
   53    54    55    58    59    60    62    69    70    75    85    86    56    57    61    65    88    78  
   54    55    58    70    85    56    57    61  
   55    58    59    60    62    63    64    69    70    75    76    77    85    56    57    61    78    79    80    81    71    73  
   58    59    60    62    69    70    75    56    78  
   57    61    65    66    67    68    88    89    58    70    75    76    77    85    86  
   61    65    88    75    85    86  
   59    60    62    63    64    69    70    75    78    71    73  
   60    62    63    64    69    70  
   62    63    64    69    70  
   65    66    67    68    88    75    85    86  
   63    64    69    70    75    78    71    72    82    73    74  
   64    69    70    71    73  
   69    70    71    73  
   66    67    68    85  
   67    68  
   68  
    0  
   70    75    76    77    85    78    79    80    81    71    72    82    83    84    87    73    74  
   75    76    77    85    86    88    78    79    80    81    71    72    82    73    74  
   72    82    83    84    87    90    73    74    75    78  
   82    83    84    87    73  
   74    75    78    82  
    0  
   76    77    85    86    88    89    78    79    80    81  
   77    85    86    88    78  
   85    86    88    78  
   79    80    81    85  
   80    81  
   81  
    0  
   83    84    87    90    91    92  
   84    87    90  
   87    90  
   86    88    89  
   88    89  
   90    91    92    93    94    95  
   89  
    0  
   91    92    93    94    95    96    97    98  
   92    93    94    95  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98    99   100  
   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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   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   268.000  1.529
   33    61   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    61   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    56   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    70   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    69   268.000  1.529
   69    70   268.000  1.529
   69    71   317.000  1.522
   69    73   320.000  1.410
   70    75   268.000  1.529
   70    78   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    85   268.000  1.529
   85    86   340.000  1.090
   85    56   268.000  1.529
   85    88   320.000  1.410
   56    57   340.000  1.090
   56    61   268.000  1.529
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   88    89   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   71    72   570.000  1.229
   71    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   320.000  1.410
   87    90   214.000  1.327
   90    91   570.000  1.229
   90    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   73    74   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    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  111.63000
   29    33    61    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    45    70.00000  112.02700
   33    61    56    58.35000  112.70000
   33    61    65    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    61    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    70.00000  112.02700
   45    61    56    70.00000  112.02700
   45    61    65    70.00000  112.02700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    58.35000  112.70000
   49    52    56    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    58    58.35000  112.70000
   52    54    70    58.35000  112.70000
   52    56    85    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    61    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    70    69    58.35000  112.70000
   54    70    75    58.35000  112.70000
   54    70    78    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    69    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    69    70    58.35000  112.70000
   62    69    71    63.00000  111.10000
   62    69    73    50.00000  109.50000
   64    62    63    33.00000  107.80000
   69    62    63    37.50000  110.70000
   69    62    64    37.50000  110.70000
   69    70    75    58.35000  112.70000
   69    70    78    58.35000  112.70000
   69    71    72    80.00000  120.40000
   69    71    82    70.00000  116.00000
   69    73    74    55.00000  108.50000
   70    54    55    37.50000  110.70000
   70    54    58    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    85    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    80    37.50000  110.70000
   70    78    81    37.50000  110.70000
   75    85    86    37.50000  110.70000
   75    85    56    58.35000  112.70000
   75    85    88    50.00000  109.50000
   77    75    76    33.00000  107.80000
   85    75    76    37.50000  110.70000
   85    75    77    37.50000  110.70000
   85    56    57    37.50000  110.70000
   85    56    61    58.35000  112.70000
   85    88    89    55.00000  108.50000
   56    52    53    37.50000  110.70000
   56    52    54    58.35000  112.70000
   56    85    86    37.50000  110.70000
   56    61    65    58.35000  112.70000
   61    33    34    37.50000  110.70000
   61    33    38    58.35000  112.70000
   61    45    46    65.00000  117.92700
   61    56    57    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    56    50.00000  109.50000
   78    70    75    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   71    69    70    63.00000  111.10000
   71    82    83    35.00000  109.50000
   71    82    84    35.00000  109.50000
   71    82    87    90.00000  108.74100
   82    71    72    80.00000  120.40000
   82    87    90    83.00000  116.90000
   84    82    83    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    84    35.00000  109.50000
   87    90    91    83.00000  123.40000
   87    90    92    81.00000  111.40000
   90    92    93    35.00000  109.50000
   90    92    94    35.00000  109.50000
   90    92    95    63.00000  111.10000
   92    90    91    80.00000  120.40000
   92    95    96    37.50000  110.70000
   92    95    97    37.50000  110.70000
   92    95    98    70.00000  109.69300
   94    92    93    33.00000  107.80000
   95    92    93    37.50000  110.70000
   95    92    94    37.50000  110.70000
   95    98    99    70.00000  117.00000
   95    98   100    70.00000  117.00000
   97    95    96    33.00000  107.80000
   98    95    96    35.00000  109.50000
   98    95    97    35.00000  109.50000
  100    98    99    80.00000  126.00000
   73    69    70    50.00000  109.50000
   73    69    71    90.00000  109.61100
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
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   94    92    95    97   0.15000  1.0 3.0
   94    92    95    98  -0.11250  1.0 3.0
   96    95    98    99   0.00000  1.0 1.0
   96    95    98   100   0.00000  1.0 1.0
   97    95    98    99   0.00000  1.0 1.0
   97    95    98   100   0.00000  1.0 1.0
   73    69    70    54   0.86500  1.0 1.0
   73    69    70    54  -0.17500 -1.0 2.0
   73    69    70    54   0.20800  1.0 3.0
   73    69    70    75   0.86500  1.0 1.0
   73    69    70    75  -0.17500 -1.0 2.0
   73    69    70    75   0.20800  1.0 3.0
   73    69    70    78   0.86500  1.0 1.0
   73    69    70    78  -0.17500 -1.0 2.0
   73    69    70    78   0.20800  1.0 3.0
   73    69    71    72   0.30150 -1.0 2.0
   73    69    71    82   0.55300  1.0 1.0
   73    69    71    82   1.25850 -1.0 2.0
   73    69    71    82  -0.23600  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    61    45    43   1.10000 -1.0 2.0
   69    82    71    72  10.50000 -1.0 2.0
   87    92    90    91  10.50000 -1.0 2.0
   99    95    98   100  10.50000 -1.0 2.0
END
