* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    222    330     656
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02066   106.56802   -18.04825
    3     1 S   H    _H1_     3     1.02060    58.30780    84.05146
    4     1 S   H    _H2_     4     1.02162    53.82522  -119.40807
    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   167.74439
   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    57.98761
   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     8.59075
   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   105.32504
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12777
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.82878    97.95163  -178.13470
   34    33 S   HC   _H3_    37     1.09732   106.25798   -38.32198
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C6_    38     1.50245   109.02535    79.97277
   39    38 S   HC   _H41    39     1.08881   117.47591    56.79826
   40    33 S   CM   _C8_    66     1.51214   108.82591  -157.85242
   41    40 S   HC   _H43    67     1.09011   115.69379   -71.29359
   42    38 S   CM   _C7_    40     1.34282   123.82760  -123.99493
   43    42 S   HC   _H42    41     1.08692   119.50538    -0.46352
   44    42 S   CT   _C15    42     1.51323   123.26003  -179.31844
   45    44 S   HC   _H50    43     1.09768   108.71825   -10.72857
   46    44 S   CT   _C22    44     1.54810   110.23796   109.08105
   47    46 S   HC   _H57    45     1.09804   108.47616    61.21786
   48    44 S   CT   _C31   115     1.53106   109.21890  -127.06828
   49    48 S   HC   _H80   116     1.08733   109.67413   -59.99179
   50    48 S   HC   _H81   117     1.08819   109.70687   178.99946
   51    46 S   OS   _O35    46     1.45552   111.80531   -53.38646
   52    46 S   CT   _C32   108     1.52824   114.48408  -179.27019
   53    52 S   HC   _H82   109     1.09315   109.06742   -58.98800
   54    52 S   HC   _H83   110     1.09275   109.05722    58.46008
   55    48 S   OH   _O38   118     1.41440   108.31433    59.53004
   56    55 S   HO   _H85   119     0.97296   107.15243   179.98022
   57    51 S   CO4  _C10    47     1.35581   121.38322   -61.65316
   58    57 S   O    _O34    48     1.22262   127.31869    -3.10879
   59    52 S   CT   _C28   111     1.49382   111.63999   179.70926
   60    59 S   HC   _H71   112     1.09601   109.57191   -58.98564
   61    59 S   HC   _H72   113     1.09443   110.88474  -178.26991
   62    59 S   HC   _H73   114     1.09559   110.89519    60.22374
   63    57 S   CM   _C4_    49     1.47832   110.95352   174.04122
   64    63 S   HC   _H39    50     1.08596   115.82819  -161.40104
   65    63 S   CM   _C5_    51     1.34054   123.51113    21.05213
   66    65 S   HC   _H40    52     1.08620   120.69426     0.42796
   67    65 S   CT   _C14    53     1.50938   122.87162   178.87517
   68    67 S   HC   _H49    54     1.09837   110.25022    13.86707
   69    67 S   CT   _C19    55     1.54843   112.24973   135.14180
   70    69 S   HC   _H54    56     1.11241   107.59646    65.05058
   71    67 S   CT   _C24   104     1.53647   108.67585  -102.19911
   72    71 S   HC   _H59   105     1.08549   109.35784   -61.37938
   73    71 S   HC   _H60   106     1.08539   109.32545   178.65535
   74    71 S   HC   _H61   107     1.08582   109.35566    58.61807
   75    69 S   CT   _C17    57     1.55834   116.54481   -55.58283
   76    75 S   HC   _H52    58     1.09280   107.85567    61.84615
   77    69 S   OS   _O39    76     1.43222   108.99965   179.89532
   78    75 S   CT   _C11    59     1.54918   112.72038   -58.14981
   79    78 S   HC   _H44    60     1.09641   109.19107    59.68693
   80    78 S   HC   _H45    61     1.09809   108.47858   -55.19291
   81    75 S   CT   _C26    72     1.53744   108.59218   177.77983
   82    81 S   HC   _H65    73     1.08516   109.32270    63.74824
   83    81 S   HC   _H66    74     1.08511   109.26421   -56.30802
   84    81 S   HC   _H67    75     1.08629   109.26628  -176.26870
   85    77 S   CO   _C23    77     1.42749   111.06714  -115.68122
   86    85 S   HC   _H58    78     1.09696   107.23633    60.02479
   87    78 S   CT   _C16    62     1.55457   116.30887  -177.00592
   88    87 S   HC   _H51    63     1.10085   106.79673    61.81593
   89    85 S   CT   _C20    79     1.53250   107.90209   179.56434
   90    89 S   HC   _H55    80     1.09722   109.49797    51.47629
   91    87 S   CMA  _C9_    64     1.54810   114.74655   -60.30359
   92    91 S   OM   _O33    65     1.26346   111.29179   116.46995
   93    87 S   CT   _C25    68     1.54308   109.39783   174.02772
   94    93 S   HC   _H62    69     1.08400   109.03271    66.11924
   95    93 S   HC   _H63    70     1.08331   109.04670   -53.86086
   96    93 S   HC   _H64    71     1.08333   109.08252  -173.90751
   97    89 S   CT   _C18    81     1.53508   110.93297   173.94336
   98    97 S   HC   _H53    82     1.09344   109.35843    70.40265
   99    89 S   OH   _O37   102     1.42712   107.93755   -65.62158
  100    99 S   HO   _H84   103     0.96960   106.46068   -61.05471
  101    97 S   CT   _C12    83     1.53107   110.44506   -50.03810
  102   101 S   HC   _H46    84     1.09643   110.39131   174.22633
  103   101 S   HC   _H47    85     1.09918   109.22773   -67.90138
  104    97 S   NTH0 _N30    93     1.46355   110.80713  -171.58100
  105   101 S   CT   _C21    86     1.52872   110.23191    52.07777
  106   105 S   HC   _H56    87     1.09711   110.54196    62.39326
  107   104 S   CT   _C29    94     1.46234   110.37692   -77.87907
  108   107 S   HC   _H74    95     1.09324   110.08162  -179.98022
  109   107 S   HC   _H75    96     1.09276   110.24968    59.95227
  110   107 S   HC   _H76    97     1.09298   110.18090   -60.02063
  111   104 S   CT   _C30    98     1.46189   110.39168   159.59979
  112   111 S   HC   _H77    99     1.09355   110.06684  -180.00000
  113   111 S   HC   _H78   100     1.09333   110.19484    59.97655
  114   111 S   HC   _H79   101     1.09307   110.18237   -60.06211
  115    85 S   OS   _O36    88     1.42614   109.70502   -59.62430
  116   105 S   CT   _C27    89     1.52230   111.10884  -176.86700
  117   116 S   HC   _H68    90     1.09053   110.06443    58.15365
  118   116 S   HC   _H69    91     1.09038   110.02627   -61.78696
  119   116 S   HC   _H70    92     1.09042   110.08167   178.23864
  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   8   5   4   3
  11   6   2   1   1  10   4   8   3  11   4  14   8  16   7   6
   3   2   9   7   5   4   1   1   6   3   3   2   1   1   7   3
  11   4  13   8  20   7   5   2   1   1  14   9  10  14   6   5
   4   2   1   1  13   6   7   6  13   7   5   1   3   2   1   1
  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    91    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    87    91    92    40    41  
   38    39    42    91    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46    91    40    41    48  
   42    43    44    40  
   41    93    42    78    87    88    91    92  
   87    91    92  
   43    44    45    46    47    51    52    48    49    50    55  
   44    45    46    48  
   45    46    47    51    57    52    53    54    59    48    49    50    55    56  
   46    47    51    52    48    49    50    55  
   47    51    57    58    63    52    53    54    59    60    61    62    48    49    50    55  
   51    57    52    53    54    59    48  
   49    50    55    56    51    52  
   50    55    56  
   55    56  
   57    58    63    64    65    52    53    54    59  
   53    54    59    60    61    62    57  
   54    59    60    61    62  
   59    60    61    62  
   56  
    0  
   58    63    64    65    66    67  
   63    64    65  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71  
   65    66    67  
   66    67    68    69    70    75    77    71    72    73    74  
   67    68    69    71  
   68    69    70    75    76    78    81    77    85    71    72    73    74  
   69    70    75    77    71    72    73    74  
   70    75    76    78    79    80    87    81    82    83    84    77    85    86    89   115    71    72    73    74  
   75    76    78    81    77    85    71  
   72    73    74    75    77  
   73    74  
   74  
    0  
   76    78    79    80    87    88    91    93    81    82    83    84    77    85  
   78    79    80    87    81    82    83    84    77  
   85    86    89    90    97   105   115    99    78    81  
   79    80    87    88    91    92    93    94    95    96    81    82    83    84  
   80    87    88    91    93    81  
   87    88    91    93    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    97    98   101   105   106   115   116   104    99   100  
   89    90    97   105   115    99  
   88    91    92    93    94    95    96  
   91    92    93    94    95    96  
   90    97    98   101   102   103   105   115   104   107   111    99   100  
   97    98   101   115   104    99   100  
   92    93    94    95    96  
   93  
   94    95    96  
   95    96  
   96  
    0  
   98   101   102   103   105   106   115   116   104   107   108   109   110   111   112   113   114    99   100  
  101   102   103   105   104   107   111    99  
  100   101   104   115  
    0  
  102   103   105   106   115   116   117   118   119   104   107   111  
  103   105   106   115   116   104  
  105   106   115   116   104  
  107   108   109   110   111   112   113   114   105  
  106   115   116   117   118   119  
  115   116   117   118   119  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111  
  112   113   114  
  113   114  
  114  
    0  
  116   117   118   119  
  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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   92   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
  105   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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
  119   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   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    51   320.000  1.410
   46    52   268.000  1.529
   51    57   214.000  1.327
   57    58   570.000  1.229
   57    63   320.000  1.462
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   268.000  1.529
   69    70   340.000  1.090
   69    75   268.000  1.529
   69    77   320.000  1.410
   75    76   340.000  1.090
   75    78   268.000  1.529
   75    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    87   268.000  1.529
   87    88   340.000  1.090
   87    91   270.000  1.512
   87    93   268.000  1.529
   91    92   745.000  1.250
   91    40   465.000  1.376
   40    41   340.000  1.080
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   77    85   320.000  1.380
   85    86   340.000  1.090
   85    89   250.000  1.527
   85   115   320.000  1.380
   89    90   340.000  1.090
   89    97   268.000  1.529
   89    99   320.000  1.410
   97    98   340.000  1.090
   97   101   268.000  1.529
   97   104   310.000  1.447
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   105   268.000  1.529
  105   106   340.000  1.090
  105   115   320.000  1.410
  105   116   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  104   107   310.000  1.447
  104   111   310.000  1.447
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   99   100   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   320.000  1.410
   55    56   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    91    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    51    50.00000  109.50000
   44    46    52    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    55    50.00000  109.50000
   46    44    45    37.50000  110.70000
   46    51    57    83.00000  116.90000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    59    58.35000  112.70000
   51    46    47    35.00000  109.50000
   51    57    58    83.00000  123.40000
   51    57    63    90.00000  111.29400
   57    63    64    40.00000  117.72500
   57    63    65    65.00000  118.96000
   63    57    58    80.00000  123.72100
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    71    70.00000  112.02700
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    75    58.35000  112.70000
   67    69    77    50.00000  109.50000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   69    67    68    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    78    58.35000  112.70000
   69    75    81    58.35000  112.70000
   69    77    85    60.00000  109.50000
   75    69    70    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    87    58.35000  112.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    37.50000  110.70000
   78    75    76    37.50000  110.70000
   78    87    88    37.50000  110.70000
   78    87    91    70.00000  112.02700
   78    87    93    58.35000  112.70000
   80    78    79    33.00000  107.80000
   87    78    79    37.50000  110.70000
   87    78    80    37.50000  110.70000
   87    91    92    85.00000  112.85300
   87    91    40    65.00000  122.18000
   87    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93    96    37.50000  110.70000
   91    87    88    45.00000  110.52000
   91    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    91    92    65.00000  137.10300
   93    87    88    37.50000  110.70000
   93    87    91    70.00000  112.02700
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    78    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   77    69    70    35.00000  109.50000
   77    69    75    50.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    89    90.00000  108.56700
   77    85   115    92.60000  111.55000
   85    89    90    45.00000  108.72000
   85    89    97    75.00000  109.43000
   85    89    99    90.00000  111.58700
   85   115   105    60.00000  109.50000
   89    85    86    45.00000  112.01100
   89    97    98    37.50000  110.70000
   89    97   101    58.35000  112.70000
   89    97   104    75.00000  113.73300
   89    99   100    55.00000  108.50000
   97    89    90    37.50000  110.70000
   97   101   102    37.50000  110.70000
   97   101   103    37.50000  110.70000
   97   101   105    58.35000  112.70000
   97   104   107    80.00000  110.40700
   97   104   111    80.00000  110.40700
  101    97    98    37.50000  110.70000
  101   105   106    37.50000  110.70000
  101   105   115    50.00000  109.50000
  101   105   116    58.35000  112.70000
  103   101   102    33.00000  107.80000
  105   101   102    37.50000  110.70000
  105   101   103    37.50000  110.70000
  105   116   117    37.50000  110.70000
  105   116   118    37.50000  110.70000
  105   116   119    37.50000  110.70000
  115    85    86    35.00000  109.50000
  115    85    89    90.00000  108.56700
  115   105   106    35.00000  109.50000
  116   105   106    37.50000  110.70000
  116   105   115    50.00000  109.50000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  104    97    98    50.00000  110.15500
  104    97   101    75.00000  113.73300
  104   107   108    50.00000  110.15500
  104   107   109    50.00000  110.15500
  104   107   110    50.00000  110.15500
  104   111   112    50.00000  110.15500
  104   111   113    50.00000  110.15500
  104   111   114    50.00000  110.15500
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111   104   107    80.00000  110.40700
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   99    89    90    35.00000  109.50000
   99    89    97    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    67    69    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    51    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    55    56    55.00000  108.50000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
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
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   97   104   107   108   0.28000  1.0 3.0
   97   104   107   109   0.28000  1.0 3.0
   97   104   107   110   0.28000  1.0 3.0
   97   104   111   112   0.28000  1.0 3.0
   97   104   111   113   0.28000  1.0 3.0
   97   104   111   114   0.28000  1.0 3.0
   98    97   101   102   0.15000  1.0 3.0
   98    97   101   103   0.15000  1.0 3.0
   98    97   101   105   0.15000  1.0 3.0
   98    97   104   107   0.28000  1.0 3.0
   98    97   104   111   0.28000  1.0 3.0
  101    97   104   107   1.99000  1.0 1.0
  101    97   104   107   0.18800 -1.0 2.0
  101    97   104   107   0.81350  1.0 3.0
  101    97   104   111   1.99000  1.0 1.0
  101    97   104   111   0.18800 -1.0 2.0
  101    97   104   111   0.81350  1.0 3.0
  101   105  -115    85   0.06250  1.0 1.0
  101   105  -115    85  -0.01100 -1.0 2.0
  101   105  -115    85   0.28050  1.0 3.0
  101   105   116   117   0.15000  1.0 3.0
  101   105   116   118   0.15000  1.0 3.0
  101   105   116   119   0.15000  1.0 3.0
  102   101   105   106   0.15000  1.0 3.0
  102   101   105   115   0.23400  1.0 3.0
  102   101   105   116   0.15000  1.0 3.0
  103   101   105   106   0.15000  1.0 3.0
  103   101   105   115   0.23400  1.0 3.0
  103   101   105   116   0.15000  1.0 3.0
  106   105   115    85   0.37050  1.0 3.0
  106   105   116   117   0.15000  1.0 3.0
  106   105   116   118   0.15000  1.0 3.0
  106   105   116   119   0.15000  1.0 3.0
  115    85    89    90   0.23400  1.0 3.0
  115    85   -89    97   0.62750  1.0 1.0
  115    85   -89    97  -0.30950 -1.0 2.0
  115    85   -89    97   0.27300  1.0 3.0
  115    85    89    99   3.69350  1.0 1.0
  115    85    89    99  -1.82950 -1.0 2.0
  115   105   116   117   0.23400  1.0 3.0
  115   105   116   118   0.23400  1.0 3.0
  115   105   116   119   0.23400  1.0 3.0
  116   105   115    85   0.06250  1.0 1.0
  116   105   115    85  -0.01100 -1.0 2.0
  116   105   115    85   0.28050  1.0 3.0
  104    97   101   102   0.15000  1.0 3.0
  104    97   101   103   0.15000  1.0 3.0
  104    97   101   105   1.85550  1.0 1.0
  104    97   101   105  -0.84100 -1.0 2.0
  107   104   111   112   0.28000  1.0 3.0
  107   104   111   113   0.28000  1.0 3.0
  107   104   111   114   0.28000  1.0 3.0
  111   104   107   108   0.28000  1.0 3.0
  111   104   107   109   0.28000  1.0 3.0
  111   104   107   110   0.28000  1.0 3.0
   99    89    97    98   0.23400  1.0 3.0
   99    89    97   101   0.86500  1.0 1.0
   99    89    97   101  -0.17500 -1.0 2.0
   99    89    97   101   0.20800  1.0 3.0
   99    89    97   104   3.18500  1.0 1.0
   71    67    69    70   0.15000  1.0 3.0
   71    67    69    75   0.56750  1.0 1.0
   71    67    69    75  -0.07550 -1.0 2.0
   71    67    69    75   0.20000  1.0 3.0
   71    67    69    77   0.62750  1.0 1.0
   71    67    69    77  -0.30950 -1.0 2.0
   71    67    69    77   0.27300  1.0 3.0
   52    46    51    57  -0.25900  1.0 1.0
   52    46    51    57  -0.47000 -1.0 2.0
   52    46    51    57   0.11750  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    62   0.15000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    51   0.62750  1.0 1.0
   48    44    46    51  -0.30950 -1.0 2.0
   48    44    46    51   0.27300  1.0 3.0
   48    44    46    52   0.56750  1.0 1.0
   48    44    46    52  -0.07550 -1.0 2.0
   48    44    46    52   0.20000  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   50    48    55    56   0.19450  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
   44    43    42    38   1.10000 -1.0 2.0
   51    63    57    58  10.50000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   87    92    91    40   1.10000 -1.0 2.0
   33    41    40    91   1.10000 -1.0 2.0
END
