* LIGAND DATABASE FILE (OPLS2005)
*
001     118   121    221    337     634
    1     0 S   NP   _N1_     1    29.16663    92.41425   -27.10225
    2     1 S   H    _HN1     2     1.02828    17.32070  -148.17458
    3     1 S   H    _H1_     3     1.02785   119.95902   -99.33784
    4     1 S   H    _H2_     4     1.02951    90.78645    12.45345
    5     1 S   CT   _CA1     5     1.50106   112.77526   125.04544
    6     5 S   HC   _HA1     6     1.09572   105.21381    77.78195
    7     5 S   CO3  _C1_     7     1.53780   112.40667   -42.49722
    8     7 S   O2Z  _O11     8     1.26369   115.01270   -43.90556
    9     7 S   O2Z  _O12     9     1.26229   114.94456   135.21282
   10     5 S   CT   _CB1    10     1.53072   107.42373  -164.23167
   11    10 S   HC   HB11    11     1.09834   109.39501   -49.70247
   12    10 S   HC   HB12    12     1.09814   110.43744    66.89413
   13    10 S   CT   _CG1    13     1.53006   112.61787  -170.67039
   14    13 S   HC   HG11    14     1.09582   110.64818   -65.00715
   15    13 S   HC   HG12    15     1.09666   109.79810    54.24657
   16    13 S   C    _CD1    16     1.51799   112.15420   174.72147
   17    16 S   O    _OE1    17     1.22740   123.23599     6.92849
   18    16 S   N    _N2_    18     1.38643   111.71418  -173.17622
   19    18 S   H    _HN2    19     1.01577   119.04477     1.86152
   20    18 S   CT1  _CA2    20     1.46282   123.38257   177.96702
   21    20 S   HC   _HA2    21     1.09743   109.27781     4.00076
   22    20 S   C    _C2_    22     1.53627   108.84425  -111.43421
   23    22 S   O    _O2_    23     1.23051   122.31776  -150.21847
   24    20 S   CT   _CB2    32     1.53554   111.52445   125.88058
   25    24 S   HC   HB21    33     1.09389   109.24820    57.07647
   26    24 S   HC   HB22    34     1.09382   109.45771   176.08809
   27    22 S   N    _N3_    24     1.38344   113.80075    37.36111
   28    27 S   H    _HN3    25     1.01560   119.57113    -3.44776
   29    24 S   S    _SG2    35     1.83196   110.78477   -64.16921
   30    27 S   CT   _CA3    26     1.45275   123.20939   177.08489
   31    30 S   HC   HA31    27     1.09549   107.51854   -64.51833
   32    30 S   HC   HA32    28     1.09557   107.98518    51.92795
   33    29 S   CT   _C20    36     1.87809   103.12697   176.17055
   34    30 S   CO3  _C3_    29     1.52955   114.07034   173.91898
   35    34 S   O2Z  _O31    30     1.26383   116.06896    -0.57607
   36    34 S   O2Z  _O32    31     1.26431   114.41302   179.48795
   37    33 S   CM   _C21    37     1.53978   108.43117    56.97486
   38    33 S   CT   _C24   112     1.55148   107.76055   178.12341
   39    38 S   HC   _H21   113     1.09709   109.65038   179.01981
   40    38 S   HC   _H22   114     1.09840   110.09289   -66.23744
   41    37 S   CMA  _C22    38     1.34867   110.65532  -107.68249
   42    41 S   OM   _O34    39     1.25218   136.95168   179.09756
   43    37 S   CT   _C23   108     1.49395   122.92034    71.36086
   44    43 S   HC   _H18   109     1.09391   110.95489   -54.01339
   45    43 S   HC   _H19   110     1.09486   111.93432  -173.79588
   46    43 S   HC   _H20   111     1.09410   110.57741    66.55906
   47    38 S   CT   _C25   115     1.52941   116.28285    55.25869
   48    47 S   HC   _H23   116     1.09465   111.25032   -77.13382
   49    47 S   HC   _H24   117     1.09514   109.72049   164.81758
   50    47 S   HC   _H25   118     1.09222   112.83162    44.23994
   51    41 S   NE   _N7_    40     1.37189   109.53501    -1.07520
   52    51 S   H    _H17    41     1.01094   119.90175  -175.65891
   53    33 S   CT   _C19    42     1.58490   111.61529   -54.58307
   54    53 S   HC   _H4_    43     1.09591   111.52757   -15.86328
   55    53 S   CT   _C18    44     1.54473   116.57493  -142.51083
   56    55 S   HC   _H15    45     1.09293   111.13336    59.56114
   57    55 S   HC   _H16    46     1.09816   110.51419   -58.41634
   58    55 S   C5A  _C17    47     1.50087   112.23373   179.39219
   59    58 S   C5BC _C16    48     1.38649   131.51384   -78.12133
   60    59 S   C5BC _C15    49     1.43688   107.06963  -179.11353
   61    59 S   CT   _C26   104     1.48739   126.92408     0.72981
   62    61 S   HC   _H26   105     1.09471   110.28865  -118.35888
   63    61 S   HC   _H27   106     1.09397   111.97957     1.65091
   64    61 S   HC   _H28   107     1.09463   110.38608   121.76514
   65    60 S   C5A  _C14    50     1.38563   106.97519     1.54978
   66    60 S   CT   _C27    95     1.49882   126.60959  -179.31557
   67    66 S   HC   _H29    96     1.09748   109.42784  -146.48772
   68    66 S   HC   _H30    97     1.09706   109.46851   -30.93475
   69    58 S   NA   _N6_    51     1.37261   120.74709   102.32583
   70    69 S   H    _H14    52     1.01135   124.50320    -0.61006
   71    65 S   CM   _C13    53     1.41032   134.01151  -179.21466
   72    71 S   HC   _H13    54     1.08840   115.88874    89.31314
   73    66 S   CT   _C28    98     1.52534   112.14138    91.31131
   74    73 S   HC   _H31    99     1.09767   109.76900    58.88689
   75    73 S   HC   _H32   100     1.09764   109.73408   -58.23115
   76    71 S   CM   _C12    55     1.34409   125.91483   -89.52016
   77    73 S   CO3  _C29   101     1.53073   114.92341  -179.74056
   78    77 S   O2Z  _O36   102     1.26529   114.03959   177.95780
   79    77 S   O2Z  _O35   103     1.26129   116.70653    -2.09462
   80    76 S   CM   _C30    56     1.46236   132.77559    -1.01433
   81    80 S   CM   _C31    57     1.34303   109.79123   179.11265
   82    80 S   CT   _C33    86     1.50075   126.17463    -0.15826
   83    82 S   HC   _H36    87     1.09215   110.94974    37.62887
   84    82 S   HC   _H37    88     1.09790   109.66159   151.35451
   85    81 S   CD   _C11    58     1.46697   101.76958     0.51776
   86    81 S   CT   _C32    82     1.47886   132.87604   179.62518
   87    86 S   HC   _H33    83     1.09433   110.51372   119.92156
   88    86 S   HC   _H34    84     1.09328   112.36111    -0.36530
   89    86 S   HC   _H35    85     1.09450   110.48448  -120.09608
   90    82 S   CT   _C34    89     1.52722   112.27069   -87.98123
   91    90 S   HC   _H38    90     1.09755   109.58969   -69.62258
   92    90 S   HC   _H39    91     1.09578   110.63958    47.60767
   93    76 S   NI   _N5_    59     1.38195   119.56579   178.62556
   94    85 S   CT   _C10    60     1.50594   122.67286  -178.96108
   95    94 S   HC   _H11    61     1.09744   108.30971  -147.73385
   96    94 S   HC   _H12    62     1.09478   108.71903   -31.78814
   97    90 S   CO3  _C35    92     1.53166   114.22322   169.96177
   98    97 S   O2Z  _O38    93     1.26500   114.20639  -161.20851
   99    97 S   O2Z  _O37    94     1.26167   116.49563    19.61836
  100    94 S   CT   _C8_    63     1.52872   110.38233    90.20060
  101   100 S   HC   _H3_    64     1.09571   111.87373   -48.79620
  102   100 S   CM   _C7_    65     1.50597   113.68477  -175.27797
  103   102 S   CM   _C6_    66     1.34349   112.91101  -118.54490
  104   102 S   CT   _C36    78     1.49160   120.03414    63.38938
  105   104 S   HC   _H40    79     1.09404   110.63713   -69.67491
  106   104 S   HC   _H41    80     1.09371   112.34290   169.78073
  107   104 S   HC   _H42    81     1.09486   110.15849    50.26051
  108   103 S   C    _C9_    67     1.48007   106.58999    -0.07133
  109   108 S   O    _O33    68     1.21880   125.30018   179.71333
  110   103 S   CT   _C5_    71     1.48874   131.13376   178.89873
  111   110 S   HC   _H8_    72     1.09649   109.56690  -137.02884
  112   110 S   HC   _H9_    73     1.09556   110.61067   -20.64647
  113   100 S   N    _N4_    69     1.43984   111.61088    71.89659
  114   113 S   H    _H10    70     1.01519   123.92724   -60.88922
  115   110 S   CT   _C4_    74     1.52114   111.96532   101.29816
  116   115 S   HC   _H5_    75     1.09532   111.17276   -60.18764
  117   115 S   HC   _H6_    76     1.09476   110.13636  -179.78878
  118   115 S   HC   _H7_    77     1.09511   111.43474    60.53878
  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  12   5   4   3
  22   2   1   1  15  12   6   5  10   4   5   2   1   1   4   2
   1   1   7   3   7   4   9   4   3  11  13  17   6   2   1   1
  11  10   5   4   4   1   7   3   5   4   3  10   2   1   1  15
  14  11   5   4  12   5   2   1   1   5   4   3   4  10   5   4
   2   1   1  12   6  13  15   6   2   1   1   7   3   7   5   4
   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    51    53    54    55    43    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    51    52    53    54    55    56    57    58    43    44    45    46    38    39    40    47    48    49    50  
   35    36  
   36  
    0  
   41    42    51    52    53    54    55    43    44    45    46    38    39    40    47  
   39    40    47    48    49    50    41    43    51    53    54    55  
   40    47    48    49    50    53  
   47    48    49    50    53  
   42    51    52    53    54    55    43    44    45    46  
   51    52    53    43  
   44    45    46    51    53  
   45    46  
   46  
    0  
   48    49    50    53  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58  
   53    54    55  
   54    55    56    57    58    59    69  
   55    56    57    58  
   56    57    58    59    60    65    69    70    61  
   57    58    59    69  
   58    59    69  
   59    60    65    69    70    71    66    61    62    63    64  
   60    65    69    70    71    66    67    68    73    61    62    63    64  
   65    69    70    71    72    76    66    67    68    73    74    75    77    61    62    63    64  
   62    63    64    65    66    69  
   63    64  
   64  
    0  
   69    70    71    72    76    80    93    66    67    68    73  
   67    68    73    74    75    77    78    79    69    71  
   68    73    74    75    77  
   73    74    75    77  
   70    71    72    76  
   71  
   72    76    80    81    85    93    82  
   76    80    93  
   74    75    77    78    79  
   75    77    78    79  
   77    78    79  
   80    81    85    93    94    86    82    83    84    90  
   78    79  
   79  
    0  
   81    85    93    94    86    87    88    89    82    83    84    90    91    92    97  
   85    93    94    95    96   100    86    87    88    89    82    83    84    90  
   83    84    90    91    92    97    98    99    85    86    93  
   84    90    91    92    97  
   90    91    92    97  
   93    94    95    96   100   101   102   113    86    87    88    89  
   87    88    89    93    94  
   88    89  
   89  
    0  
   91    92    97    98    99  
   92    97    98    99  
   97    98    99  
   94    95    96   100  
   95    96   100   101   102   103   108   113   114   104  
   96   100   101   102   113  
  100   101   102   113  
   98    99  
   99  
    0  
  101   102   103   108   109   113   114   110   104   105   106   107  
  102   103   108   113   114   104  
  103   108   109   113   114   110   111   112   115   104   105   106   107  
  108   109   113   114   110   111   112   115   116   117   118   104   105   106   107  
  105   106   107   108   110   113  
  106   107  
  107  
    0  
  109   113   114   110   111   112   115  
  113   114   110  
  111   112   115   116   117   118   113  
  112   115   116   117   118  
  115   116   117   118  
  114  
    0  
  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   0.167500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -1.111500   1.8650   1.6500   0.051222218  -2.220205820
   52   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.065000   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   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   77   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   94   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  103   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  110   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  114   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  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    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  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    51   415.000  1.382
   51    52   434.000  1.010
   51    53   382.000  1.448
   53    54   340.000  1.090
   53    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   295.000  1.489
   58    59   546.000  1.367
   58    69   427.000  1.381
   59    60   469.000  1.424
   59    61   285.000  1.502
   60    65   546.000  1.367
   60    66   285.000  1.502
   65    69   427.000  1.381
   65    71   375.000  1.423
   69    70   434.000  1.010
   71    72   340.000  1.080
   71    76   549.000  1.340
   76    80   380.000  1.444
   76    93   405.000  1.380
   80    81   549.000  1.340
   80    82   317.000  1.510
   81    85   320.000  1.464
   81    86   317.000  1.510
   85    93   500.000  1.261
   85    94   270.000  1.508
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   100   268.000  1.529
  100   101   340.000  1.090
  100   102   317.000  1.510
  100   113   337.000  1.449
  102   103   549.000  1.340
  102   104   317.000  1.510
  103   108   410.000  1.444
  103   110   317.000  1.510
  108   109   570.000  1.229
  108   113   490.000  1.335
  113   114   434.000  1.010
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   115   268.000  1.529
  115   116   340.000  1.090
  115   117   340.000  1.090
  115   118   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    97   317.000  1.522
   97    98   656.000  1.250
   97    99   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   317.000  1.522
   77    78   656.000  1.250
   77    79   656.000  1.250
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    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  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    53    51    80.00000  111.61500
   33    53    54    37.50000  110.70000
   33    53    55    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    47    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    51    75.00000  114.40000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    51    52    50.00000  121.48000
   41    51    53    50.00000  121.00000
   51    41    42   105.00000  113.92000
   51    53    54    35.00000  109.50000
   51    53    55    80.00000  111.61500
   53    33    37    70.00000  112.02700
   53    51    52    35.00000  112.50000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    58    70.00000  113.44400
   55    53    54    37.50000  110.70000
   55    58    59    50.00000  133.50000
   55    58    69    65.00000  122.56900
   57    55    56    33.00000  107.80000
   58    55    56    45.00000  110.47400
   58    55    57    45.00000  110.47400
   58    59    60    70.00000  107.30000
   58    59    61    60.00000  130.00000
   58    69    65    70.00000  109.80000
   58    69    70    35.00000  120.00000
   59    60    65    70.00000  107.30000
   59    60    66    60.00000  130.00000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    35.00000  109.50000
   60    65    69    70.00000  107.70000
   60    65    71    50.00000  133.16000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    73    70.00000  112.17500
   65    69    70    35.00000  120.00000
   65    71    72    40.00000  117.26300
   65    71    76    55.00000  128.24000
   69    58    59    70.00000  107.70000
   71    65    69    70.00000  120.38000
   71    76    80    70.00000  123.01800
   71    76    93    70.00000  120.83400
   76    71    72    35.00000  120.00000
   76    80    81    70.00000  123.01800
   76    80    82    70.00000  124.00000
   76    93    85    75.00000  115.77100
   80    81    85    60.00000  120.31500
   80    81    86    70.00000  124.00000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    90    70.00000  112.02700
   81    85    93    70.00000  121.86000
   81    85    94    65.00000  117.24000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   85    94    95    45.00000  109.49600
   85    94    96    45.00000  109.49600
   85    94   100    70.00000  111.76100
   93    76    80    70.00000  120.83400
   94    85    93    65.00000  122.10100
   94   100   101    37.50000  110.70000
   94   100   102    70.00000  112.02700
   94   100   113    70.00000  110.72300
   96    94    95    33.00000  107.80000
  100    94    95    37.50000  110.70000
  100    94    96    37.50000  110.70000
  100   102   103    70.00000  124.00000
  100   102   104    65.00000  117.92700
  100   113   108    50.00000  121.90000
  100   113   114    38.00000  118.40000
  102   100   101    35.00000  109.50000
  102   103   108    70.00000  118.70000
  102   103   110    70.00000  124.00000
  102   104   105    35.00000  109.50000
  102   104   106    35.00000  109.50000
  102   104   107    35.00000  109.50000
  103   108   109    80.00000  125.30000
  103   108   113    80.00000  111.56200
  103   110   111    35.00000  109.50000
  103   110   112    35.00000  109.50000
  103   110   115    70.00000  112.02700
  108   113   114    35.00000  119.80000
  113   100   101    35.00000  109.50000
  113   100   102    75.00000  110.78400
  113   108   109    80.00000  122.90000
  110   103   108    70.00000  119.70000
  110   115   116    37.50000  110.70000
  110   115   117    37.50000  110.70000
  110   115   118    37.50000  110.70000
  112   110   111    33.00000  107.80000
  115   110   111    37.50000  110.70000
  115   110   112    37.50000  110.70000
  117   115   116    33.00000  107.80000
  118   115   116    33.00000  107.80000
  118   115   117    33.00000  107.80000
  104   102   103    70.00000  124.00000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   86    81    85    65.00000  117.22000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   82    80    81    70.00000  124.00000
   82    90    91    37.50000  110.70000
   82    90    92    37.50000  110.70000
   82    90    97    70.00000  109.69300
   84    82    83    33.00000  107.80000
   90    82    83    37.50000  110.70000
   90    82    84    37.50000  110.70000
   90    97    98    70.00000  117.00000
   90    97    99    70.00000  117.00000
   92    90    91    33.00000  107.80000
   97    90    91    35.00000  109.50000
   97    90    92    35.00000  109.50000
   99    97    98    80.00000  126.00000
   66    60    65    60.00000  130.00000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    77    70.00000  109.69300
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    77    78    70.00000  117.00000
   73    77    79    70.00000  117.00000
   75    73    74    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    35.00000  109.50000
   79    77    78    80.00000  126.00000
   61    59    60    60.00000  130.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   38    47    48    37.50000  110.70000
   38    47    49    37.50000  110.70000
   38    47    50    37.50000  110.70000
   40    38    39    33.00000  107.80000
   47    38    39    37.50000  110.70000
   47    38    40    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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   83    82    90    92   0.15000  1.0 3.0
   83    82    90    97  -0.11250  1.0 3.0
   84    82    90    91   0.15000  1.0 3.0
   84    82    90    92   0.15000  1.0 3.0
   84    82    90    97  -0.11250  1.0 3.0
   91    90    97    98   0.00000  1.0 1.0
   91    90    97    99   0.00000  1.0 1.0
   92    90    97    98   0.00000  1.0 1.0
   92    90    97    99   0.00000  1.0 1.0
   66    60    65    69   3.62500 -1.0 2.0
   66    60    65    71   3.62500 -1.0 2.0
   66    73    77    78   0.41150 -1.0 2.0
   66    73    77    79   0.41150 -1.0 2.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    77  -0.11250  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    77  -0.11250  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    79   0.00000  1.0 1.0
   61    59    60    65   3.62500 -1.0 2.0
   61    59    60    66   3.62500 -1.0 2.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    51   7.00000 -1.0 2.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    53    51   1.26750  1.0 1.0
   38    33    53    51  -0.00950 -1.0 2.0
   38    33    53    51   0.30600  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.56750  1.0 1.0
   38    33    53    55  -0.07550 -1.0 2.0
   38    33    53    55   0.20000  1.0 3.0
   39    38    47    48   0.15000  1.0 3.0
   39    38    47    49   0.15000  1.0 3.0
   39    38    47    50   0.15000  1.0 3.0
   40    38    47    48   0.15000  1.0 3.0
   40    38    47    49   0.15000  1.0 3.0
   40    38    47    50   0.15000  1.0 3.0
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    43    37    41   1.10000 -1.0 2.0
   51    42    41    37   1.10000 -1.0 2.0
   52    41    51    53   1.00000 -1.0 2.0
   59    69    58    55   4.00000 -1.0 2.0
   60    61    59    58   4.00000 -1.0 2.0
   65    66    60    59   4.00000 -1.0 2.0
   71    69    65    60   4.00000 -1.0 2.0
   70    58    69    65   1.00000 -1.0 2.0
   65    72    71    76   1.10000 -1.0 2.0
   80    93    76    71   1.10000 -1.0 2.0
   76    82    80    81   1.10000 -1.0 2.0
   85    86    81    80   1.10000 -1.0 2.0
   81    94    85    93  10.50000 -1.0 2.0
  100   104   102   103   1.10000 -1.0 2.0
  108   110   103   102   1.10000 -1.0 2.0
  103   113   108   109  10.50000 -1.0 2.0
  114   108   113   100   1.00000 -1.0 2.0
   98    90    97    99  10.50000 -1.0 2.0
   78    73    77    79  10.50000 -1.0 2.0
END
