* LIGAND DATABASE FILE (OPLS2005)
*
001     118   119    221    328     652
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02092    34.37984  -171.95980
    3     1 S   H    _H1_     3     1.02122    96.25415   -57.82815
    4     1 S   H    _H2_     4     1.02026    83.44671    50.34612
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C14    36     1.83633    97.29799  -158.13318
   34    33 S   HC   _H3_    37     1.11833   105.95479    37.39151
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C8_    38     1.51700   108.35661   -80.03395
   39    38 S   HC   _H42    39     1.08644   115.11844   -86.39082
   40    33 S   CT   _C17    66     1.56449   113.61392   154.49970
   41    40 S   HC   _H51    67     1.11895   106.05235   164.20548
   42    38 S   CMA  _C9_    40     1.35725   126.30812    91.45047
   43    42 S   OM   _O33    41     1.26878   125.54017    -4.48043
   44    40 S   CT   _C27    68     1.53918   113.77493    46.57226
   45    44 S   HC   _H67    69     1.08437   109.07329   -63.07463
   46    44 S   HC   _H68    70     1.08379   109.07328   177.02112
   47    44 S   HC   _H69    71     1.08320   109.12200    57.00557
   48    42 S   OS   _O35    42     1.42215   109.65438   176.52064
   49    48 S   CT   _C22    43     1.44517   117.52937  -150.05461
   50    49 S   HC   _H56    44     1.09972   112.17569   -25.65839
   51    49 S   CT   _C13    45     1.55250   109.83118    95.80960
   52    51 S   HC   _H47    46     1.10432   108.82714    55.03609
   53    49 S   CT   _C32   112     1.53022   105.12716  -143.15442
   54    53 S   HC   _H82   113     1.09352   109.04012  -178.59570
   55    53 S   HC   _H83   114     1.09256   109.07446   -61.25219
   56    51 S   CM   _C7_    47     1.51480   110.78554   -64.73541
   57    56 S   HC   _H41    48     1.09165   116.28384   -46.77721
   58    51 S   CT   _C24   108     1.53123   112.52745   173.86243
   59    58 S   HC   _H58   109     1.08830   109.78548    60.29884
   60    58 S   HC   _H59   110     1.08866   109.74326   -59.71593
   61    58 S   HC   _H60   111     1.08801   109.76852  -179.63416
   62    53 S   CT   _C29   115     1.49319   111.71351    60.10412
   63    62 S   HC   _H73   116     1.09644   109.63552   -59.00752
   64    62 S   HC   _H74   117     1.09500   110.91320  -178.24030
   65    62 S   HC   _H75   118     1.09556   110.89688    60.21890
   66    56 S   CM   _C6_    49     1.34143   123.66505   126.47118
   67    66 S   HC   _H40    50     1.09492   119.35494    -3.36459
   68    66 S   CM   _C4_    51     1.44653   123.12320  -176.17633
   69    68 S   HC   _H38    52     1.08217   116.36653    13.08473
   70    68 S   CM   _C5_    53     1.33847   122.31993  -171.77476
   71    70 S   HC   _H39    54     1.09571   121.19176    -1.31015
   72    70 S   CO4  _C10    55     1.49119   123.41102  -177.67358
   73    72 S   O    _O34    56     1.23187   117.94784  -149.83642
   74    72 S   CT   _C15    57     1.53605   119.63847    33.67989
   75    74 S   HC   _H49    58     1.09012   110.80339   -49.26236
   76    74 S   CT   _C11    59     1.54519   109.32242    69.10100
   77    76 S   HC   _H43    60     1.07990   109.87741   -12.50080
   78    76 S   HC   _H44    61     1.08322   107.71648   104.48999
   79    74 S   CT   _C25   104     1.53234   109.63500  -168.43491
   80    79 S   HC   _H61   105     1.08807   109.63174   -59.12561
   81    79 S   HC   _H62   106     1.08741   109.67058  -179.12777
   82    79 S   HC   _H63   107     1.08687   109.64398    60.86353
   83    76 S   CT   _C16    62     1.55141   114.28194  -135.90843
   84    83 S   HC   _H50    63     1.05245   105.42920    44.08345
   85    83 S   CT   _C19    64     1.56039   111.66410   163.64873
   86    85 S   HC   _H53    65     1.08986   107.65085   159.87308
   87    83 S   CT   _C26   100     1.53344   110.74856   -73.49755
   88    87 S   HC   _H64   101     1.08689   109.62365   -64.57412
   89    87 S   HC   _H65   102     1.08752   109.56290   175.42812
   90    87 S   HC   _H66   103     1.08665   109.62382    55.46452
   91    85 S   OS   _O38    72     1.42716   109.55827    42.28904
   92    91 S   CO   _C23    73     1.42732   111.25237   117.18509
   93    92 S   HC   _H57    74     1.09653   107.27825    59.99541
   94    92 S   CT   _C20    75     1.53266   107.94030   179.60091
   95    94 S   HC   _H54    76     1.09763   109.52850    51.41941
   96    94 S   CT   _C18    77     1.53472   110.97799   173.93143
   97    96 S   HC   _H52    78     1.09405   109.36548    70.34336
   98    94 S   OH   _O37    98     1.42772   107.87484   -65.63052
   99    98 S   HO   _H84    99     0.96898   106.45822   -61.09964
  100    96 S   CT   _C12    79     1.53093   110.40587   -50.04345
  101   100 S   HC   _H45    80     1.09697   110.33172   174.18833
  102   100 S   HC   _H46    81     1.09834   109.23996   -67.97073
  103    96 S   NTH0 _N30    89     1.46264   110.82417  -171.64243
  104   100 S   CT   _C21    82     1.52850   110.25561    52.07842
  105   104 S   HC   _H55    83     1.09747   110.57160    62.37654
  106   103 S   CT   _C30    90     1.46188   110.42435   -77.89815
  107   106 S   HC   _H76    91     1.09269   110.10728   179.98022
  108   106 S   HC   _H77    92     1.09381   110.20607    60.00083
  109   106 S   HC   _H78    93     1.09349   110.19225   -59.96384
  110   103 S   CT   _C31    94     1.46233   110.39042   159.60603
  111   110 S   HC   _H79    95     1.09273   110.11420  -179.97202
  112   110 S   HC   _H80    96     1.09259   110.19675    59.97226
  113   110 S   HC   _H81    97     1.09366   110.17516   -59.99568
  114    92 S   OS   _O36    84     1.42652   109.69384   -59.63726
  115   104 S   CT   _C28    85     1.52308   111.10811  -176.88762
  116   115 S   HC   _H70    86     1.09031   110.03179    58.16178
  117   115 S   HC   _H71    87     1.09028   110.01802   -61.81947
  118   115 S   HC   _H72    88     1.09019   110.04265   178.17973
  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   9   4  14   8   6   2   7   3   2   1  10
  17   8  14   8   8   5   4  10   4   4   2   1   1   3   2   1
   1   6   3   6   3   7   3  11   4  12   8  15   6   5   4   2
   1   1   9   7  10   3   4   2   1   1   8  13   6  13   7  19
   8   4   1  12   6   5   9   6   5   7   3   2   1   3   2   1
   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    85    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    83    85    86    40    41    44    45    46    47    91  
   38    39    42    85    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    85    40    41    44  
   42    43    48    40  
   41    44    45    46    47    91    92    87    42    76    83    84    85    86  
   44    45    46    47    91    83    85    86  
   43    48    49    50    51    53  
   48    49  
   45    46    47    91    83    85    86  
   46    47    85  
   47    85  
   85  
   49    50    51    52    56    58    53    54    55    62  
   50    51    52    56    57    66    58    59    60    61    53    54    55    62    63    64    65  
   51    52    56    58    53    54    55    62  
   52    56    57    66    67    68    58    59    60    61    53    54    55    62  
   56    57    66    58    59    60    61    53  
   54    55    62    63    64    65    56    58  
   55    62    63    64    65  
   62    63    64    65  
   57    66    67    68    69    70    58    59    60    61  
   66    67    68    58  
   59    60    61    66  
   60    61  
   61  
    0  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75    76    79  
   72    73    74  
   73    74    75    76    77    78    83    79    80    81    82  
   74    75    76    79  
   75    76    77    78    83    84    85    87    79    80    81    82  
   76    77    78    83    79    80    81    82  
   77    78    83    84    85    86    91    87    88    89    90    79    80    81    82  
   78    83    84    85    87    79  
   83    84    85    87    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86    91    92    87    88    89    90  
   85    86    91    87    88    89    90  
   86    91    92    93    94   114    87    88    89    90  
   91    92    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92    93    94    95    96   104   114    98  
   93    94    95    96    97   100   104   105   114   115   103    98    99  
   94    95    96   104   114    98  
   95    96    97   100   101   102   104   114   103   106   110    98    99  
   96    97   100   114   103    98    99  
   97   100   101   102   104   105   114   115   103   106   107   108   109   110   111   112   113    98    99  
  100   101   102   104   103   106   110    98  
   99   100   103   114  
    0  
  101   102   104   105   114   115   116   117   118   103   106   110  
  102   104   105   114   115   103  
  104   105   114   115   103  
  106   107   108   109   110   111   112   113   104  
  105   114   115   116   117   118  
  114   115   116   117   118  
  107   108   109   110   111   112   113  
  108   109   110  
  109   110  
  110  
  111   112   113  
  112   113  
  113  
    0  
  115   116   117   118  
  116   117   118  
  117   118  
  118  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
  104   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  115   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    53   268.000  1.529
   51    52   340.000  1.090
   51    56   317.000  1.510
   51    58   268.000  1.529
   56    57   340.000  1.080
   56    66   549.000  1.340
   66    67   340.000  1.080
   66    68   380.000  1.444
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   340.000  1.080
   70    72   320.000  1.462
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   268.000  1.529
   85    86   340.000  1.090
   85    40   268.000  1.529
   85    91   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   91    92   320.000  1.380
   92    93   340.000  1.090
   92    94   250.000  1.527
   92   114   320.000  1.380
   94    95   340.000  1.090
   94    96   268.000  1.529
   94    98   320.000  1.410
   96    97   340.000  1.090
   96   100   268.000  1.529
   96   103   310.000  1.447
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   104   268.000  1.529
  104   105   340.000  1.090
  104   114   320.000  1.410
  104   115   268.000  1.529
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  103   106   310.000  1.447
  103   110   310.000  1.447
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   98    99   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    85    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    80.00000  120.01400
   42    38    39    40.00000  120.50800
   42    48    49    90.00000  111.18400
   48    42    43    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    53    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    56    70.00000  112.02700
   49    51    58    58.35000  112.70000
   49    53    54    37.50000  110.70000
   49    53    55    37.50000  110.70000
   49    53    62    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    56    57    35.00000  117.00000
   51    56    66    70.00000  124.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   56    51    52    35.00000  109.50000
   56    66    67    35.00000  120.00000
   56    66    68    70.00000  123.01800
   66    56    57    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    70.00000  123.01800
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    65.00000  118.96000
   70    68    69    35.00000  120.00000
   70    72    73    80.00000  123.72100
   70    72    74    65.00000  118.62400
   72    70    71    40.00000  117.72500
   72    74    75    35.00000  109.50000
   72    74    76    63.00000  111.10000
   72    74    79    63.00000  111.10000
   74    72    73    80.00000  120.40000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    83    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   76    74    75    37.50000  110.70000
   76    83    84    37.50000  110.70000
   76    83    85    58.35000  112.70000
   76    83    87    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    40    58.35000  112.70000
   83    85    91    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    37.50000  110.70000
   85    40    41    37.50000  110.70000
   85    40    44    58.35000  112.70000
   85    91    92    60.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    85    86    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   91    85    86    35.00000  109.50000
   91    85    40    50.00000  109.50000
   91    92    93    35.00000  109.50000
   91    92    94    90.00000  108.56700
   91    92   114    92.60000  111.55000
   92    94    95    45.00000  108.72000
   92    94    96    75.00000  109.43000
   92    94    98    90.00000  111.58700
   92   114   104    60.00000  109.50000
   94    92    93    45.00000  112.01100
   94    96    97    37.50000  110.70000
   94    96   100    58.35000  112.70000
   94    96   103    75.00000  113.73300
   94    98    99    55.00000  108.50000
   96    94    95    37.50000  110.70000
   96   100   101    37.50000  110.70000
   96   100   102    37.50000  110.70000
   96   100   104    58.35000  112.70000
   96   103   106    80.00000  110.40700
   96   103   110    80.00000  110.40700
  100    96    97    37.50000  110.70000
  100   104   105    37.50000  110.70000
  100   104   114    50.00000  109.50000
  100   104   115    58.35000  112.70000
  102   100   101    33.00000  107.80000
  104   100   101    37.50000  110.70000
  104   100   102    37.50000  110.70000
  104   115   116    37.50000  110.70000
  104   115   117    37.50000  110.70000
  104   115   118    37.50000  110.70000
  114    92    93    35.00000  109.50000
  114    92    94    90.00000  108.56700
  114   104   105    35.00000  109.50000
  115   104   105    37.50000  110.70000
  115   104   114    50.00000  109.50000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  103    96    97    50.00000  110.15500
  103    96   100    75.00000  113.73300
  103   106   107    50.00000  110.15500
  103   106   108    50.00000  110.15500
  103   106   109    50.00000  110.15500
  103   110   111    50.00000  110.15500
  103   110   112    50.00000  110.15500
  103   110   113    50.00000  110.15500
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  110   103   106    80.00000  110.40700
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   98    94    95    35.00000  109.50000
   98    94    96    50.00000  109.50000
   87    83    84    37.50000  110.70000
   87    83    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    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
   58    51    52    37.50000  110.70000
   58    51    56    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    64    37.50000  110.70000
   53    62    65    37.50000  110.70000
   55    53    54    33.00000  107.80000
   62    53    54    37.50000  110.70000
   62    53    55    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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
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  100    96   103   110   1.99000  1.0 1.0
  100    96   103   110   0.18800 -1.0 2.0
  100    96   103   110   0.81350  1.0 3.0
  100   104  -114    92   0.06250  1.0 1.0
  100   104  -114    92  -0.01100 -1.0 2.0
  100   104  -114    92   0.28050  1.0 3.0
  100   104   115   116   0.15000  1.0 3.0
  100   104   115   117   0.15000  1.0 3.0
  100   104   115   118   0.15000  1.0 3.0
  101   100   104   105   0.15000  1.0 3.0
  101   100   104   114   0.23400  1.0 3.0
  101   100   104   115   0.15000  1.0 3.0
  102   100   104   105   0.15000  1.0 3.0
  102   100   104   114   0.23400  1.0 3.0
  102   100   104   115   0.15000  1.0 3.0
  105   104   114    92   0.37050  1.0 3.0
  105   104   115   116   0.15000  1.0 3.0
  105   104   115   117   0.15000  1.0 3.0
  105   104   115   118   0.15000  1.0 3.0
  114    92    94    95   0.23400  1.0 3.0
  114    92   -94    96   0.62750  1.0 1.0
  114    92   -94    96  -0.30950 -1.0 2.0
  114    92   -94    96   0.27300  1.0 3.0
  114    92    94    98   3.69350  1.0 1.0
  114    92    94    98  -1.82950 -1.0 2.0
  114   104   115   116   0.23400  1.0 3.0
  114   104   115   117   0.23400  1.0 3.0
  114   104   115   118   0.23400  1.0 3.0
  115   104   114    92   0.06250  1.0 1.0
  115   104   114    92  -0.01100 -1.0 2.0
  115   104   114    92   0.28050  1.0 3.0
  103    96   100   101   0.15000  1.0 3.0
  103    96   100   102   0.15000  1.0 3.0
  103    96   100   104   1.85550  1.0 1.0
  103    96   100   104  -0.84100 -1.0 2.0
  106   103   110   111   0.28000  1.0 3.0
  106   103   110   112   0.28000  1.0 3.0
  106   103   110   113   0.28000  1.0 3.0
  110   103   106   107   0.28000  1.0 3.0
  110   103   106   108   0.28000  1.0 3.0
  110   103   106   109   0.28000  1.0 3.0
   98    94    96    97   0.23400  1.0 3.0
   98    94    96   100   0.86500  1.0 1.0
   98    94    96   100  -0.17500 -1.0 2.0
   98    94    96   100   0.20800  1.0 3.0
   98    94    96   103   3.18500  1.0 1.0
   87    83    85    86   0.15000  1.0 3.0
   87    83    85    40   0.56750  1.0 1.0
   87    83    85    40  -0.07550 -1.0 2.0
   87    83    85    40   0.20000  1.0 3.0
   87    83    85    91   0.62750  1.0 1.0
   87    83    85    91  -0.30950 -1.0 2.0
   87    83    85    91   0.27300  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   79    74    76    83   0.56750  1.0 1.0
   79    74    76    83  -0.07550 -1.0 2.0
   79    74    76    83   0.20000  1.0 3.0
   58    51    56    57   0.00000  1.0 1.0
   58    51    56    66   0.09850  1.0 1.0
   58    51    56    66   0.15250 -1.0 2.0
   58    51    56    66  -0.50650  1.0 3.0
   53    49    51    52   0.15000  1.0 3.0
   53    49    51    56   0.34400  1.0 1.0
   53    49    51    56   0.09450 -1.0 2.0
   53    49    51    56   0.11100  1.0 3.0
   53    49    51    58   0.56750  1.0 1.0
   53    49    51    58  -0.07550 -1.0 2.0
   53    49    51    58   0.20000  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    64   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   55    53    62    63   0.15000  1.0 3.0
   55    53    62    64   0.15000  1.0 3.0
   55    53    62    65   0.15000  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
   33    39    38    42   1.10000 -1.0 2.0
   43    48    42    38   1.10000 -1.0 2.0
   51    57    56    66   1.10000 -1.0 2.0
   68    67    66    56   1.10000 -1.0 2.0
   66    69    68    70   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
END
