* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    216    311     624
    1     0 S   NP   _N1_     1    28.35370    95.96005   -21.47586
    2     1 S   H    _HN1     2     1.02778    90.84411   -91.91611
    3     1 S   H    _H1_     3     1.02960    82.78864    16.45207
    4     1 S   H    _H2_     4     1.02836    36.51752   148.30939
    5     1 S   CT   _CA1     5     1.50119   146.54516   132.90981
    6     5 S   HC   _HA1     6     1.09576   105.22647    68.87583
    7     5 S   CO3  _C1_     7     1.53778   112.40122   -51.31945
    8     7 S   O2Z  _O11     8     1.26358   115.00242   -43.70524
    9     7 S   O2Z  _O12     9     1.26239   114.91904   135.47269
   10     5 S   CT   _CB1    10     1.53096   107.42773  -173.22952
   11    10 S   HC   HB11    11     1.09825   109.30004   -50.95592
   12    10 S   HC   HB12    12     1.09818   110.42586    65.58177
   13    10 S   CT   _CG1    13     1.53014   112.69170  -172.06694
   14    13 S   HC   HG11    14     1.09595   110.45098   -64.36589
   15    13 S   HC   HG12    15     1.09655   109.96662    54.85492
   16    13 S   C    _CD1    16     1.51823   112.32783   175.18505
   17    16 S   O    _OE1    17     1.22720   123.26568    -1.35653
   18    16 S   N    _N2_    18     1.38636   111.64913   178.88162
   19    18 S   H    _HN2    19     1.01582   119.01800     1.18960
   20    18 S   CT1  _CA2    20     1.46152   123.36553   179.39348
   21    20 S   HC   _HA2    21     1.09729   109.44930    -5.63138
   22    20 S   C    _C2_    22     1.53471   108.34200  -121.31939
   23    22 S   O    _O2_    23     1.23035   122.20909  -144.53603
   24    20 S   CT   _CB2    32     1.53324   111.67421   116.49120
   25    24 S   HC   HB21    33     1.09528   109.86105    56.40661
   26    24 S   HC   HB22    34     1.09516   109.88119   175.41555
   27    22 S   N    _N3_    24     1.38488   113.45319    42.68705
   28    27 S   H    _HN3    25     1.01505   118.97665    -0.40105
   29    24 S   S    _SG2    35     1.82730   112.04527   -64.74647
   30    27 S   CT   _CA3    26     1.45446   123.40806   175.19511
   31    30 S   HC   HA31    27     1.09524   109.22415    24.94338
   32    30 S   HC   HA32    28     1.09495   107.13212   141.94897
   33    29 S   CT   _C19    36     1.84981    99.74432  -175.37268
   34    33 S   HC   _H3_    37     1.09079   103.97395    46.45405
   35    30 S   CO3  _C3_    29     1.52920   113.09476   -98.51840
   36    35 S   O2Z  _O31    30     1.26402   115.39260   -44.70749
   37    35 S   O2Z  _O32    31     1.26354   114.98659   136.21401
   38    33 S   CM   _C7_    38     1.51032   109.12046   -70.45973
   39    38 S   HC   _H46    39     1.08960   116.81990   -42.35637
   40    33 S   CT   _C22    76     1.55463   108.36841   164.37159
   41    40 S   HC   _H55    77     1.09946   109.48373    40.86002
   42    38 S   CM   _C6_    40     1.34649   126.30620   137.35952
   43    42 S   HC   _H45    41     1.08918   117.25506  -178.65477
   44    40 S   CT   _C28    78     1.53569   114.44318   159.84130
   45    44 S   HC   _H65    79     1.09353   111.78351    56.85107
   46    44 S   HC   _H66    80     1.09437   111.50625   -64.93486
   47    44 S   HC   _H67    81     1.09630   110.54436   175.98844
   48    42 S   CT   _C18    42     1.51484   127.19109     3.48605
   49    48 S   HC   _H51    43     1.09517   111.01498     0.12667
   50    48 S   CT   _C21    44     1.55789   110.23994   119.32507
   51    50 S   HC   _H54    45     1.09883   107.37393   -39.77106
   52    48 S   OS   _O38   115     1.43379   109.27031  -120.71224
   53    50 S   CM   _C11    46     1.53145   112.38483  -159.89665
   54    50 S   OS   _O37   109     1.44714   109.32031    77.94284
   55    52 S   CT   _C30   116     1.42149   113.43321    82.53284
   56    55 S   HC   _H71   117     1.09333   108.17349   175.77288
   57    55 S   HC   _H72   118     1.09424   110.78959    57.00037
   58    55 S   HC   _H73   119     1.09222   110.67036   -65.76610
   59    53 S   CM   _C8_    47     1.35009   119.28867   117.76915
   60    59 S   HC   _H47    48     1.09069   117.59328     2.44865
   61    53 S   CT   _C26   105     1.50470   116.76654   -61.40852
   62    61 S   HC   _H59   106     1.09489   110.71993   -41.57609
   63    61 S   HC   _H60   107     1.09264   113.00363  -160.19282
   64    61 S   HC   _H61   108     1.09422   110.38704    78.61012
   65    54 S   CO4  _C15   110     1.36080   117.73720  -150.81170
   66    65 S   O    _O36   111     1.22494   125.84234     0.25944
   67    59 S   CT   _C17    49     1.52172   128.50653  -174.39737
   68    67 S   HC   _H50    50     1.09121   109.18223    -0.09065
   69    65 S   N    _N32   112     1.36871   110.08775  -179.79064
   70    69 S   H    _H84   113     1.01321   121.02293   179.93744
   71    69 S   H    _H85   114     1.01329   121.00402     0.14265
   72    67 S   CT   _C25    51     1.55764   108.13558   117.78064
   73    72 S   HC   _H58    52     1.09447   106.92798   -44.68259
   74    67 S   CT   _C27   101     1.52985   109.07625  -117.24846
   75    74 S   HC   _H62   102     1.09523   112.22816   -63.69062
   76    74 S   HC   _H63   103     1.09361   111.17785   174.97617
   77    74 S   HC   _H64   104     1.09638   110.60898    56.26118
   78    72 S   CT   _C24    53     1.55391   116.28714  -165.20635
   79    78 S   HC   _H57    54     1.09440   107.88698   171.03941
   80    72 S   OS   _O41    96     1.44211   107.76396    71.37040
   81    78 S   CT   _C16    55     1.54037   115.89090    48.49520
   82    81 S   HC   _H48    56     1.09910   107.02312   -72.95258
   83    81 S   HC   _H49    57     1.09792   108.74570   175.68552
   84    78 S   OS   _O40    91     1.44020   107.71877   -72.83531
   85    80 S   CT   _C33    97     1.41836   114.51620  -153.84224
   86    85 S   HC   _H80    98     1.09343   108.11917  -178.43815
   87    85 S   HC   _H81    99     1.09169   110.14067    63.65004
   88    85 S   HC   _H82   100     1.09235   111.64872   -59.51786
   89    81 S   CT   _C23    58     1.54687   119.12481    51.32666
   90    89 S   HC   _H56    59     1.09379   109.45694   -48.93333
   91    84 S   CT   _C32    92     1.42109   113.73283  -149.45583
   92    91 S   HC   _H77    93     1.09339   108.14323   179.06435
   93    91 S   HC   _H78    94     1.09422   110.45262    60.63184
   94    91 S   HC   _H79    95     1.09281   111.24915   -62.08623
   95    89 S   CT   _C20    60     1.56299   114.38699    75.03059
   96    95 S   HC   _H53    61     1.09912   106.98238    49.19986
   97    89 S   CT   _C29    87     1.54393   107.43986  -162.76384
   98    97 S   HC   _H68    88     1.09530   111.11694   -66.30997
   99    97 S   HC   _H69    89     1.09475   111.50868   172.70389
  100    97 S   HC   _H70    90     1.09568   110.90508    53.97541
  101    95 S   CM   _C9_    62     1.51599   115.17937   -73.65675
  102    95 S   OS   _O39    82     1.44055   108.37015   165.84481
  103   101 S   CM   _C4_    63     1.33952   122.31428   123.71977
  104   103 S   HC   _H43    64     1.08529   121.38903    -1.20464
  105   102 S   CT   _C31    83     1.42224   113.48971  -149.01556
  106   105 S   HC   _H74    84     1.09332   108.17182   179.95154
  107   105 S   HC   _H75    85     1.09415   110.41768    61.44016
  108   105 S   HC   _H76    86     1.09354   111.04154   -61.16515
  109   103 S   CO4  _C12    65     1.47583   122.39510   177.51116
  110   109 S   O    _O33    66     1.22573   121.06644  -175.34066
  111   109 S   CM   _C5_    67     1.47616   117.69152     6.40677
  112   111 S   HC   _H44    68     1.08300   115.53774   171.52416
  113   111 S   CM   _C10    69     1.33601   121.21895    -5.20247
  114   101 S   CO4  _C13    70     1.48909   118.60620   -59.88751
  115   114 S   O    _O34    71     1.22924   121.77648    -4.86800
  116   113 S   N    _N31    72     1.37898   126.12217   173.47896
  117   116 S   H    _H83    73     1.01673   112.97012  -171.00189
  118   116 S   C    _C14    74     1.38758   129.58206     6.76900
  119   118 S   O    _O35    75     1.22878   126.17427     9.54746
  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
  15   7   2   1   1  11   4  11   7   9   4   6   3   2   1  13
   6  15   6   6  12   7   3   2   1   1  15   5   4   2   1   1
   4   3  13   8   2   1   1  18   7   5   2   1   1  15   7   6
  14   6   5   5   3   2   1   1  12   8   3   2   1   1  17   6
   5   2   1   1  11   6   8   4   3   2   1   1   6   3   7   3
   6   4   1   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   118    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48   116   118   119    40    41    44    45    46    47  
   38    39    42   118    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    49    50   118    40    41    44    52  
   42    43    48    40  
   41    44    45    46    47    42   113   116   117   118   119  
   44    45    46    47   116   118   119  
   43    48    49    50    51    53    54    52    55  
   48    49    50    52  
   45    46    47   116   118   119  
   46    47   118  
   47   118  
  118  
   49    50    51    53    59    61    54    65    52    55    56    57    58  
   50    51    53    54    52    55  
   51    53    59    60    67    61    62    63    64    54    65    66    69    52    55  
   53    59    61    54    65    52  
   55    56    57    58    53    54  
   59    60    67    68    72    74    61    62    63    64    54    65  
   65    66    69    70    71    59    61  
   56    57    58  
   57    58  
   58  
    0  
   60    67    68    72    73    78    80    74    75    76    77    61    62    63    64  
   67    68    72    74    61  
   62    63    64    67  
   63    64  
   64  
    0  
   66    69    70    71  
   69    70    71  
   68    72    73    78    79    81    84    80    85    74    75    76    77  
   72    73    78    80    74    75    76    77  
   70    71  
   71  
    0  
   73    78    79    81    82    83    89    84    91    80    85    86    87    88    74    75    76    77  
   78    79    81    84    80    85    74  
   75    76    77    78    80  
   76    77  
   77  
    0  
   79    81    82    83    89    90    95    97    84    91    92    93    94    80    85  
   81    82    83    89    84    91    80  
   85    86    87    88    81    84  
   82    83    89    90    95    96   101   102    97    98    99   100    84    91  
   83    89    90    95    97    84  
   89    90    95    97    84  
   91    92    93    94    89  
   86    87    88  
   87    88  
   88  
    0  
   90    95    96   101   103   114   102   105    97    98    99   100  
   95    96   101   102    97    98    99   100  
   92    93    94  
   93    94  
   94  
    0  
   96   101   103   104   109   113   114   115   102   105   106   107   108    97    98    99   100  
  101   103   114   102   105    97  
   98    99   100   101   102  
   99   100  
  100  
    0  
  103   104   109   110   111   113   114   115   116   102   105  
  105   106   107   108   103   114  
  104   109   110   111   112   113   114   115  
  109   110   111   114  
  106   107   108  
  107   108  
  108  
    0  
  110   111   112   113   114   116  
  111   112   113  
  112   113   114   115   116   117   118  
  113   114   116  
  114   115   116   117   118   119  
  115   116   117   118  
  116  
  117   118   119  
  118   119  
  119  
    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  -0.115000   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  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   70   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   71   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
  103   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  109   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  111   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  112   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
  114   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  115   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  116   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  118   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
  119   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
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   549.000  1.340
   42    43   340.000  1.080
   42    48   317.000  1.510
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    54   320.000  1.410
   53    59   549.000  1.340
   53    61   317.000  1.510
   59    60   340.000  1.080
   59    67   317.000  1.510
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    74   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    80   320.000  1.410
   78    79   340.000  1.090
   78    81   268.000  1.529
   78    84   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    89   268.000  1.529
   89    90   340.000  1.090
   89    95   268.000  1.529
   89    97   268.000  1.529
   95    96   340.000  1.090
   95   101   317.000  1.510
   95   102   320.000  1.410
  101   103   549.000  1.340
  101   114   320.000  1.462
  103   104   340.000  1.080
  103   109   320.000  1.462
  109   110   570.000  1.229
  109   111   320.000  1.462
  111   112   340.000  1.080
  111   113   549.000  1.340
  113   114   320.000  1.462
  113   116   400.000  1.384
  114   115   570.000  1.229
  116   117   434.000  1.010
  116   118   490.000  1.335
  118   119   570.000  1.229
  118    40   317.000  1.522
   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
  102   105   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   84    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   54    65   214.000  1.327
   65    66   570.000  1.229
   65    69   435.000  1.380
   69    70   434.000  1.010
   69    71   434.000  1.010
   52    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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   118    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    48    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    48    49    35.00000  109.50000
   42    48    50    70.00000  112.02700
   42    48    52    85.00000  110.90400
   48    42    43    35.00000  117.00000
   48    50    51    37.50000  110.70000
   48    50    53    70.00000  112.02700
   48    50    54    50.00000  109.50000
   48    52    55    60.00000  109.50000
   50    48    49    37.50000  110.70000
   50    53    59    70.00000  124.00000
   50    53    61    65.00000  117.92700
   50    54    65    83.00000  116.90000
   53    50    51    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    67    70.00000  124.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   59    67    68    35.00000  109.50000
   59    67    72    70.00000  112.02700
   59    67    74    70.00000  112.02700
   67    59    60    35.00000  117.00000
   67    72    73    37.50000  110.70000
   67    72    78    58.35000  112.70000
   67    72    80    50.00000  109.50000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   72    67    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    81    58.35000  112.70000
   72    78    84    50.00000  109.50000
   72    80    85    60.00000  109.50000
   78    72    73    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    89    58.35000  112.70000
   78    84    91    60.00000  109.50000
   81    78    79    37.50000  110.70000
   81    89    90    37.50000  110.70000
   81    89    95    58.35000  112.70000
   81    89    97    58.35000  112.70000
   83    81    82    33.00000  107.80000
   89    81    82    37.50000  110.70000
   89    81    83    37.50000  110.70000
   89    95    96    37.50000  110.70000
   89    95   101    70.00000  112.02700
   89    95   102    50.00000  109.50000
   89    97    98    37.50000  110.70000
   89    97    99    37.50000  110.70000
   89    97   100    37.50000  110.70000
   95    89    90    37.50000  110.70000
   95   101   103    70.00000  124.00000
   95   101   114    65.00000  116.34900
   95   102   105    60.00000  109.50000
  101    95    96    35.00000  109.50000
  101   103   104    35.00000  120.00000
  101   103   109    65.00000  118.96000
  101   114   113    65.00000  118.65900
  101   114   115    80.00000  123.72100
  103   109   110    80.00000  123.72100
  103   109   111    65.00000  118.65900
  109   103   104    40.00000  117.72500
  109   111   112    40.00000  117.72500
  109   111   113    65.00000  118.96000
  111   109   110    80.00000  123.72100
  111   113   114    65.00000  118.96000
  111   113   116    75.00000  120.83300
  113   111   112    35.00000  120.00000
  113   114   115    80.00000  123.72100
  113   116   117    45.00000  117.55000
  113   116   118    70.00000  120.89900
  114   101   103    65.00000  118.96000
  116   113   114    70.00000  117.92000
  116   118   119    80.00000  122.90000
  116   118    40    70.00000  116.60000
  118   116   117    35.00000  119.80000
  118    40    41    35.00000  109.50000
  118    40    44    63.00000  111.10000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40   118   119    80.00000  120.40000
   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
  102    95    96    35.00000  109.50000
  102    95   101    85.00000  110.90400
  102   105   106    35.00000  109.50000
  102   105   107    35.00000  109.50000
  102   105   108    35.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   97    89    90    37.50000  110.70000
   97    89    95    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    81    50.00000  109.50000
   84    91    92    35.00000  109.50000
   84    91    93    35.00000  109.50000
   84    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    78    50.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   61    53    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    53    85.00000  110.90400
   54    65    66    83.00000  123.40000
   54    65    69   110.00000  108.75700
   65    69    70    50.00000  116.34900
   65    69    71    50.00000  116.34900
   69    65    66    85.00000  125.96000
   71    69    70    35.00000  120.00000
   52    48    49    35.00000  109.50000
   52    48    50    50.00000  109.50000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
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  102    95   101   103  -0.05800 -1.0 2.0
  102    95   101   103  -0.55150  1.0 3.0
  102    95   101   114   0.09700  1.0 1.0
  102    95   101   114   0.15600 -1.0 2.0
  102    95   101   114  -0.50800  1.0 3.0
   97    89    95    96   0.15000  1.0 3.0
   97    89    95   101   0.34400  1.0 1.0
   97    89    95   101   0.09450 -1.0 2.0
   97    89    95   101   0.11100  1.0 3.0
   97    89    95   102   0.62750  1.0 1.0
   97    89    95   102  -0.30950 -1.0 2.0
   97    89    95   102   0.27300  1.0 3.0
   84    78    81    82   0.23400  1.0 3.0
   84    78    81    83   0.23400  1.0 3.0
   84    78    81    89   0.62750  1.0 1.0
   84    78    81    89  -0.30950 -1.0 2.0
   84    78    81    89   0.27300  1.0 3.0
   80    72    78    79   0.23400  1.0 3.0
   80    72    78    81   0.62750  1.0 1.0
   80    72    78    81  -0.30950 -1.0 2.0
   80    72    78    81   0.27300  1.0 3.0
   80    72    78    84   1.11900  1.0 1.0
   80    72    78    84  -1.16350 -1.0 2.0
   80    72    78    84  -0.34150  1.0 3.0
   74    67    72    73   0.15000  1.0 3.0
   74    67    72    78   0.56750  1.0 1.0
   74    67    72    78  -0.07550 -1.0 2.0
   74    67    72    78   0.20000  1.0 3.0
   74    67    72    80   0.62750  1.0 1.0
   74    67    72    80  -0.30950 -1.0 2.0
   74    67    72    80   0.27300  1.0 3.0
   61    53    59    60   7.00000 -1.0 2.0
   61    53    59    67   7.00000 -1.0 2.0
   54    50    53    59   0.39000  1.0 1.0
   54    50    53    59  -0.05800 -1.0 2.0
   54    50    53    59  -0.55150  1.0 3.0
   54    50    53    61   0.09700  1.0 1.0
   54    50    53    61   0.15600 -1.0 2.0
   54    50    53    61  -0.50800  1.0 3.0
   54    65    69    70   2.56700 -1.0 2.0
   54    65    69    71   2.56700 -1.0 2.0
   66    65    69    70   2.45000 -1.0 2.0
   66    65    69    71   2.45000 -1.0 2.0
   52    48    50    51   0.23400  1.0 3.0
   52    48    50    53   0.61850  1.0 1.0
   52    48    50    53  -0.22750 -1.0 2.0
   52    48    50    53   0.15300  1.0 3.0
   52    48    50    54   1.11900  1.0 1.0
   52    48    50    54  -1.16350 -1.0 2.0
   52    48    50    54  -0.34150  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
   48    43    42    38   1.10000 -1.0 2.0
   50    61    53    59   1.10000 -1.0 2.0
   67    60    59    53   1.10000 -1.0 2.0
   95   114   101   103   1.10000 -1.0 2.0
  109   104   103   101   1.10000 -1.0 2.0
  103   111   109   110  10.50000 -1.0 2.0
  109   112   111   113   1.10000 -1.0 2.0
  114   116   113   111   1.10000 -1.0 2.0
  101   113   114   115  10.50000 -1.0 2.0
  117   118   116   113   1.00000 -1.0 2.0
  116    40   118   119  10.50000 -1.0 2.0
   54    69    65    66  10.50000 -1.0 2.0
   71    65    69    70   1.00000 -1.0 2.0
END
