* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    190    319     582
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056   104.42232     5.89914
    3     1 S   H    _H1_     3     1.02083    44.47196   107.95540
    4     1 S   H    _H2_     4     1.02104    68.49734   -98.88215
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.85496    97.02707  -178.14565
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C16    37     1.54316   105.35566    40.02423
   38    37 S   O    _O35    38     1.22703   124.10783  -101.74775
   39    33 S   CT   _C18    85     1.54620   110.49061   -78.97871
   40    39 S   HC   _H7_    86     1.10207   108.85550   172.61996
   41    37 S   CA   _C14    39     1.47834   116.66392    75.21601
   42    39 S   OH   _O41    87     1.43071   111.24315    56.12000
   43    42 S   HO   _H29    88     0.96740   106.21508    54.14405
   44    41 S   CA   _C13    40     1.39984   118.11743    26.35398
   45    44 S   CA   _C12    41     1.40296   117.87007  -175.51236
   46    45 S   HA   _H14    42     1.08455   121.36488   179.17078
   47    44 S   CM   _C27    69     1.47855   119.32261     6.66409
   48    45 S   CA   _C11    43     1.39818   120.77512    -1.42175
   49    48 S   HA   _H13    44     1.08748   119.32063  -179.79252
   50    33 S   CM   _C26    70     1.53789   110.26920   157.92068
   51    47 S   OH   _O37    99     1.38093   116.25181   153.19085
   52    51 S   HO   _H22   100     0.96219   109.79677    -0.02798
   53    48 S   CA   _C10    45     1.39313   120.29047     0.03426
   54    50 S   CT   _C25    71     1.53948   116.21260   103.69975
   55    41 S   CA   _C15    46     1.39752   120.11156  -151.23003
   56    53 S   CT   _C9_    49     1.51227   119.02165  -179.79729
   57    56 S   HC   _H6_    50     1.10895   107.24404   149.97109
   58    54 S   CO4  _C24    72     1.53696   113.55512  -156.37496
   59    58 S   O    _O36    73     1.23287   122.50212  -105.66263
   60    54 S   OH   _O38    97     1.43561   105.14256    87.86555
   61    60 S   HO   _H23    98     0.96643   105.95134    59.93605
   62    55 S   OH   _O34    47     1.36252   122.49717    -2.03384
   63    62 S   HO   _H15    48     0.96903   110.13812     0.04423
   64    56 S   CT   _C8_    51     1.52950   111.47207   -89.05598
   65    64 S   HC   _H11    52     1.09741   111.23194   -59.90051
   66    64 S   HC   _H12    53     1.10013   110.26539    57.14226
   67    58 S   CT   _C23    74     1.51383   116.76260    73.54957
   68    67 S   HC   _H20    75     1.09135   107.14214   177.28178
   69    67 S   HC   _H21    76     1.08600   108.98374   -65.65322
   70    64 S   CT   _C7_    54     1.52566   110.57051   177.35033
   71    70 S   HC   _H5_    55     1.09685   110.32859    70.54475
   72    67 S   CT   _C22    77     1.52592   110.05159    57.88568
   73    70 S   CT   _C6_    56     1.53019   110.79347   -51.70091
   74    73 S   HC   _H4_    57     1.09785   108.92209   -71.43676
   75    70 S   OH   _O42    67     1.42592   109.37590  -171.81249
   76    75 S   HO   _H30    68     0.96968   106.52713   -59.91390
   77    72 S   CT   _C21    78     1.54113   111.21084   -52.13624
   78    77 S   HC   _H18    79     1.09291   110.21864   -70.90942
   79    77 S   HC   _H19    80     1.09289   109.60541   174.19316
   80    72 S   CT   _C28    91     1.53134   110.02747  -174.74596
   81    80 S   HC   _H24    92     1.08710   109.57679   179.96574
   82    80 S   HC   _H25    93     1.08695   109.57221    59.99704
   83    80 S   HC   _H26    94     1.08677   109.59998   -60.04950
   84    72 S   OH   _O39    95     1.42986   107.96871    68.47833
   85    84 S   HO   _H27    96     0.96709   105.89747    60.01347
   86    73 S   CT   _C5_    58     1.53476   110.71290    50.71998
   87    86 S   HC   _H3_    59     1.09743   110.32851    66.03833
   88    73 S   OH   _O43    65     1.42536   108.12288   171.66765
   89    88 S   HO   _H31    66     0.96958   106.61865   -59.96854
   90    54 S   CT   _C20    81     1.55550   115.38213   -31.61906
   91    56 S   OS   _O33    60     1.43272   108.85256    32.50727
   92    86 S   CT   _C4_    61     1.52539   112.12363  -174.00008
   93    92 S   HC   _H8_    62     1.08984   109.90924    58.49675
   94    92 S   HC   _H9_    63     1.08935   109.93769   -61.52217
   95    92 S   HC   _H10    64     1.08966   109.89647   178.42244
   96    90 S   CT   _C19    82     1.54448   112.91362    47.33272
   97    96 S   HC   _H16    83     1.10761   111.73418  -136.75173
   98    96 S   HC   _H17    84     1.11079   109.19188   109.80046
   99    90 S   OH   _O40    89     1.44312   108.69427   163.13102
  100    99 S   HO   _H28    90     0.96458   105.62966   179.05106
  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  11   5   4   3
  19   2   1   1  14   5  13   7  12   6   1  12   9   4   9   8
   3  12   2   1  11  17   6  13   6  13   6   6   1   1   1  11
   6   5  13   5   4  11   6  12  12   7   3   1  14   6   5   6
   3   2   1   2   1   8   6   3   1   5   4   3   2   1   1   4
   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    47    50    54    96    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    55    47    50    54    58    90    96    97    98    39    40    42    43    60    51  
   35    36  
   36  
    0  
   38    41    44    45    53    55    62    47    50    54    96    39    40    42  
   41    44    55    50    39  
   40    42    43    99    41    47    50    54    77    90    96    97    98  
   42    43    50    90    96    97    98  
   44    45    46    48    53    55    62    63    56    47    50    51  
   43    50    90    96    97    98  
   96  
   45    46    48    49    53    55    62    47    50    54    51    52  
   46    48    49    53    55    56    47    50    51  
   48    49    53    47  
   50    54    58    90    60    51    52    48    55  
   49    53    55    62    56    57    64    91  
   53    55    56  
   54    58    59    67    77    90    96    99    60    61    51    52  
   52    54  
    0  
   55    62    63    56    57    64    65    66    70    86    91  
   58    59    67    68    69    72    77    78    79    90    96    97    98    99   100    60    61  
   62    63    56    57    64    91  
   57    64    65    66    70    71    73    86    87    91    92    75    62  
   64    65    66    70    86    91  
   59    67    68    69    72    77    90    96    99    80    84    60    61  
   67    68    69    72    90    60  
   61    67    77    90    96    99  
   90  
   63  
    0  
   65    66    70    71    73    74    86    91    88    75    76  
   66    70    71    73    91    75  
   70    71    73    91    75  
   68    69    72    77    78    79    90    80    81    82    83    84    85  
   69    72    77    80    84  
   72    77    80    84  
   71    73    74    86    87    91    92    88    89    75    76  
   73    74    86    88    75    76  
   77    78    79    90    96    99    80    81    82    83    84    85  
   74    86    87    91    92    93    94    95    88    89    75    76  
   86    87    91    92    88    89    75  
   76    86    88  
    0  
   78    79    90    96    97    98    99   100    80    81    82    83    84    85  
   79    90    96    99    80    84  
   90    96    99    80    84  
   81    82    83    84    85    90  
   82    83    84  
   83    84  
   84  
   85    90  
    0  
   87    91    92    93    94    95    88    89  
   91    92    93    94    95    88  
   89    91    92  
    0  
   96    97    98    99   100  
   92    93    94    95  
   93    94    95  
   94    95  
   95  
    0  
   97    98    99   100  
   98    99  
   99  
  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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    50   317.000  1.510
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    44   469.000  1.400
   41    55   469.000  1.400
   44    45   469.000  1.400
   44    47   320.000  1.460
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    55   469.000  1.400
   53    56   317.000  1.510
   55    62   450.000  1.364
   62    63   553.000  0.945
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    91   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    73   268.000  1.529
   70    75   320.000  1.410
   73    74   340.000  1.090
   73    86   268.000  1.529
   73    88   320.000  1.410
   86    87   340.000  1.090
   86    91   320.000  1.410
   86    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   88    89   553.000  0.945
   75    76   553.000  0.945
   47    50   549.000  1.340
   47    51   510.000  1.338
   50    54   317.000  1.510
   54    58   317.000  1.522
   54    90   268.000  1.529
   54    60   320.000  1.410
   58    59   570.000  1.229
   58    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    77   268.000  1.529
   72    80   268.000  1.529
   72    84   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    90   268.000  1.529
   90    96   268.000  1.529
   90    99   320.000  1.410
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   99   100   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   553.000  0.945
   60    61   553.000  0.945
   51    52   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    50    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    50    47    70.00000  124.00000
   33    50    54    65.00000  117.92700
   33    39    96    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   37    41    44    60.00000  119.52600
   37    41    55    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    44    45    63.00000  120.00000
   41    44    47    60.00000  120.93500
   41    55    53    63.00000  120.00000
   41    55    62    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    48    63.00000  120.00000
   44    47    50    60.00000  123.20500
   44    47    51    85.00000  114.86500
   45    48    49    35.00000  120.00000
   45    48    53    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    53    55    63.00000  120.00000
   48    53    56    70.00000  120.00000
   53    48    49    35.00000  120.00000
   53    55    62    70.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    64    70.00000  112.17500
   53    56    91    85.00000  111.85700
   55    41    44    63.00000  120.00000
   55    62    63    35.00000  113.00000
   56    53    55    70.00000  120.00000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    70    58.35000  112.70000
   56    91    86    60.00000  109.50000
   64    56    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    73    58.35000  112.70000
   64    70    75    50.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    86    58.35000  112.70000
   70    73    88    50.00000  109.50000
   70    75    76    55.00000  108.50000
   73    70    71    37.50000  110.70000
   73    86    87    37.50000  110.70000
   73    86    91    50.00000  109.50000
   73    86    92    58.35000  112.70000
   73    88    89    55.00000  108.50000
   86    73    74    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    37.50000  110.70000
   91    56    57    35.00000  109.50000
   91    56    64    50.00000  109.50000
   91    86    87    35.00000  109.50000
   92    86    87    37.50000  110.70000
   92    86    91    50.00000  109.50000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   88    73    74    35.00000  109.50000
   88    73    86    50.00000  109.50000
   75    70    71    35.00000  109.50000
   75    70    73    50.00000  109.50000
   47    44    45    60.00000  120.93500
   47    50    54    70.00000  124.00000
   47    51    52    70.00000  107.45700
   50    33    37    70.00000  109.06800
   50    54    58    70.00000  109.06800
   50    54    90    70.00000  112.02700
   50    54    60    90.00000  110.39200
   54    58    59    80.00000  120.40000
   54    58    67    70.00000  116.00000
   54    90    77    58.35000  112.70000
   54    90    96    58.35000  112.70000
   54    90    99    50.00000  109.50000
   54    60    61    55.00000  108.50000
   58    67    68    35.00000  109.50000
   58    67    69    35.00000  109.50000
   58    67    72    63.00000  111.10000
   67    58    59    80.00000  120.40000
   67    72    77    58.35000  112.70000
   67    72    80    58.35000  112.70000
   67    72    84    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    90    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   72    84    85    55.00000  108.50000
   77    90    96    58.35000  112.70000
   77    90    99    50.00000  109.50000
   79    77    78    33.00000  107.80000
   90    54    58    63.00000  111.10000
   90    77    78    37.50000  110.70000
   90    77    79    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96    39    58.35000  112.70000
   90    99   100    55.00000  108.50000
   96    39    40    37.50000  110.70000
   96    39    42    50.00000  109.50000
   98    96    97    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    50    70.00000  112.02700
   39    96    97    37.50000  110.70000
   39    96    98    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   99    90    96    50.00000  109.50000
   80    72    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    72    77    50.00000  109.50000
   84    72    80    50.00000  109.50000
   60    54    58    90.00000  109.61100
   60    54    90    50.00000  109.50000
   51    47    50    80.00000  121.38400
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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
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   80    72    84    85   0.21250  1.0 3.0
   84    72    77    78   0.23400  1.0 3.0
   84    72    77    79   0.23400  1.0 3.0
   84    72    77    90   0.86500  1.0 1.0
   84    72    77    90  -0.17500 -1.0 2.0
   84    72    77    90   0.20800  1.0 3.0
   84    72    80    81   0.23400  1.0 3.0
   84    72    80    82   0.23400  1.0 3.0
   84    72    80    83   0.23400  1.0 3.0
   60    54    58    59   0.30150 -1.0 2.0
   60    54    58    67   0.55300  1.0 1.0
   60    54    58    67   1.25850 -1.0 2.0
   60    54    58    67  -0.23600  1.0 3.0
   60    54    90    77   0.86500  1.0 1.0
   60    54    90    77  -0.17500 -1.0 2.0
   60    54    90    77   0.20800  1.0 3.0
   60    54    90    96   0.86500  1.0 1.0
   60    54    90    96  -0.17500 -1.0 2.0
   60    54    90    96   0.20800  1.0 3.0
   60    54    90    99   3.75450  1.0 1.0
   51    47    50    33   7.00000 -1.0 2.0
   51    47    50    54   7.00000 -1.0 2.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   44    55    41    37   4.00000 -1.0 2.0
   45    47    44    41   4.00000 -1.0 2.0
   48    46    45    44   1.10000 -1.0 2.0
   53    49    48    45   1.10000 -1.0 2.0
   55    56    53    48   4.00000 -1.0 2.0
   53    62    55    41   4.00000 -1.0 2.0
   44    51    47    50   1.10000 -1.0 2.0
   33    54    50    47   1.10000 -1.0 2.0
   54    67    58    59  10.50000 -1.0 2.0
END
