* LIGAND DATABASE FILE (OPLS2005)
*
001     119   122    224    344     646
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02093   101.36968   -45.48555
    3     1 S   H    _H1_     3     1.02086    75.52039    61.10831
    4     1 S   H    _H2_     4     1.02145    39.00600  -151.18059
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.85285    97.19276  -158.13857
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C21    37     1.55462   112.91995    80.01618
   38    37 S   HC   _H5_    38     1.09951   109.06936  -164.94711
   39    33 S   CT   _C24   113     1.53070   106.97697   -43.62453
   40    39 S   HC   _H22   114     1.09159   108.92515    65.49604
   41    39 S   HC   _H23   115     1.09180   108.92393  -177.10545
   42    37 S   C    _C22    39     1.52017   102.88527    82.99138
   43    42 S   O    _O34    40     1.22156   126.08608  -160.14775
   44    37 S   CT   _C23   109     1.52091   118.00711   -41.59986
   45    44 S   HC   _H19   110     1.09068   110.12841    55.96947
   46    44 S   HC   _H20   111     1.09094   110.16141   -64.02898
   47    44 S   HC   _H21   112     1.09130   110.11904   175.97552
   48    39 S   CT   _C25   116     1.49234   111.58758   -55.81265
   49    48 S   HC   _H24   117     1.09677   109.50155   -59.12578
   50    48 S   HC   _H25   118     1.09497   110.98160  -178.34767
   51    48 S   HC   _H26   119     1.09581   110.92702    60.03859
   52    42 S   N    _N7_    41     1.39168   106.96074    21.83924
   53    52 S   H    _H18    42     1.01516   123.04694   178.62087
   54    33 S   CT   _C19    43     1.54906   107.94588  -167.81833
   55    54 S   HC   _H4_    44     1.09648   112.87115    28.50006
   56    54 S   CT   _C18    45     1.52810   115.46036   153.44200
   57    56 S   HC   _H16    46     1.09465   109.40466    50.64747
   58    56 S   HC   _H17    47     1.09433   109.40451   -65.47830
   59    56 S   C5A  _C17    48     1.50353   111.58686   172.54989
   60    59 S   C5BC _C16    49     1.37739   131.14387  -119.95471
   61    60 S   C5BC _C15    50     1.41622   107.43898  -179.98022
   62    60 S   CT   _C26   105     1.47761   126.15267    -0.06853
   63    62 S   HC   _H27   106     1.10173   111.11031   -89.90036
   64    62 S   HC   _H28   107     1.10351   111.93612    30.59516
   65    62 S   HC   _H29   108     1.10288   111.95222   149.50942
   66    61 S   C5A  _C14    51     1.37774   107.34275     0.00000
   67    61 S   CT   _C27    96     1.47748   126.32531   179.94766
   68    67 S   HC   _H30    97     1.10574   110.73091  -135.04728
   69    67 S   HC   _H31    98     1.10558   110.72102   -19.51665
   70    59 S   NA   _N6_    52     1.37135   121.06724    60.03094
   71    70 S   H    _H15    53     1.01130   124.87329     0.02798
   72    66 S   CM   _C13    54     1.40445   134.19503  -179.95577
   73    72 S   HC   _H14    55     1.10159   119.34469    90.01282
   74    67 S   CT   _C28    99     1.53694   113.11064   102.75254
   75    74 S   HC   _H32   100     1.09779   109.25140    60.03851
   76    74 S   HC   _H33   101     1.09729   109.27244   -56.51568
   77    72 S   CM   _C12    56     1.35380   125.47416   -88.37178
   78    74 S   CO3  _C29   102     1.53248   116.03360  -178.30465
   79    78 S   O2Z  _O36   103     1.26486   113.97707   177.36939
   80    78 S   O2Z  _O35   104     1.26132   116.72910    -2.69181
   81    77 S   CM   _C30    57     1.45167   127.37339     0.05234
   82    81 S   CM   _C31    58     1.34036   109.77031   179.82417
   83    81 S   CT   _C33    87     1.49030   122.75967    -0.20077
   84    83 S   HC   _H37    88     1.09712   109.20596    30.00594
   85    83 S   HC   _H38    89     1.09665   108.35530   146.18439
   86    82 S   CD   _C11    59     1.47234   101.32762     0.03426
   87    82 S   CT   _C32    83     1.47783   133.34788   179.65622
   88    87 S   HC   _H34    84     1.09545   110.58349    90.02517
   89    87 S   HC   _H35    85     1.09571   110.61517   -30.18179
   90    87 S   HC   _H36    86     1.09565   110.57466  -149.82416
   91    83 S   CT   _C34    90     1.52658   112.86503   -92.96592
   92    91 S   HC   _H39    91     1.09763   108.36769   -60.02308
   93    91 S   HC   _H40    92     1.09758   109.64833    56.06549
   94    77 S   NI   _N5_    60     1.37563   123.91326  -179.87967
   95    86 S   CT   _C10    61     1.49506   121.82594   179.49603
   96    95 S   HC   _H12    62     1.09369   108.36070    29.98169
   97    95 S   HC   _H13    63     1.09292   107.98689   147.48976
   98    91 S   CO3  _C35    93     1.53374   116.94033   179.94065
   99    98 S   O2Z  _O38    94     1.26476   114.13762  -178.89962
  100    98 S   O2Z  _O37    95     1.26153   116.53427     1.57868
  101    95 S   CT   _C8_    64     1.51426   110.43216   -91.44509
  102   101 S   HC   _H3_    65     1.09525   110.98259    53.46608
  103   101 S   CM   _C7_    66     1.50484   113.98234  -179.97202
  104   103 S   CM   _C6_    67     1.34342   112.72602   118.25383
  105   103 S   CT   _C36    79     1.49083   119.79468   -62.93702
  106   105 S   HC   _H41    80     1.09116   109.91588   -88.56304
  107   105 S   HC   _H42    81     1.09032   109.95521   151.23826
  108   105 S   HC   _H43    82     1.09116   109.94713    31.54628
  109   104 S   C    _C9_    68     1.48091   106.66867     0.57811
  110   109 S   O    _O33    69     1.22017   125.05805   179.52812
  111   104 S   CT   _C5_    72     1.48188   131.74132  -179.97202
  112   111 S   HC   _H9_    73     1.09777   108.95318  -148.51809
  113   111 S   HC   _H10    74     1.09756   108.61617   -31.15873
  114   101 S   N    _N4_    70     1.43816   111.14353   -66.78654
  115   114 S   H    _H11    71     1.01517   123.86045    61.36555
  116   111 S   CT   _C4_    75     1.51797   110.90066    89.97902
  117   116 S   HC   _H6_    76     1.09407   110.80059   -59.26217
  118   116 S   HC   _H7_    77     1.09531   110.80565  -179.53019
  119   116 S   HC   _H8_    78     1.09447   110.92643    61.02773
  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  13   5   4   3
  23   2   1   1  16   9  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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    52    54    55    56    44    39    40    41    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    52    53    54    55    56    57    58    59    44    45    46    47    39    40    41    48    49    50    51  
   35    36  
   36  
    0  
   38    42    43    52    53    54    55    56    44    45    46    47    39    40    41    48  
   42    43    52    54    44    45    46    47    39  
   40    41    48    49    50    51    42    44    52    54    55    56  
   41    48    49    50    51    54  
   48    49    50    51    54  
   43    52    53    54    55    56    44    45    46    47  
   52    53    54    44  
   45    46    47    52    54  
   46    47  
   47  
    0  
   49    50    51    54  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    71    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    72    67    62    63    64    65  
   61    66    70    71    72    67    68    69    74    62    63    64    65  
   66    70    71    72    73    77    67    68    69    74    75    76    78    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    73    77    81    94    67    68    69    74  
   68    69    74    75    76    78    79    80    70    72  
   69    74    75    76    78  
   74    75    76    78  
   71    72    73    77  
   72  
   73    77    81    82    86    94    83  
   77    81    94  
   75    76    78    79    80  
   76    78    79    80  
   78    79    80  
   81    82    86    94    95    87    83    84    85    91  
   79    80  
   80  
    0  
   82    86    94    95    87    88    89    90    83    84    85    91    92    93    98  
   86    94    95    96    97   101    87    88    89    90    83    84    85    91  
   84    85    91    92    93    98    99   100    86    87    94  
   85    91    92    93    98  
   91    92    93    98  
   94    95    96    97   101   102   103   114    87    88    89    90  
   88    89    90    94    95  
   89    90  
   90  
    0  
   92    93    98    99   100  
   93    98    99   100  
   98    99   100  
   95    96    97   101  
   96    97   101   102   103   104   109   114   115   105  
   97   101   102   103   114  
  101   102   103   114  
   99   100  
  100  
    0  
  102   103   104   109   110   114   115   111   105   106   107   108  
  103   104   109   114   115   105  
  104   109   110   114   115   111   112   113   116   105   106   107   108  
  109   110   114   115   111   112   113   116   117   118   119   105   106   107   108  
  106   107   108   109   111   114  
  107   108  
  108  
    0  
  110   114   115   111   112   113   116  
  114   115   111  
  112   113   116   117   118   119   114  
  113   116   117   118   119  
  116   117   118   119  
  115  
    0  
  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   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   95   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  111   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  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    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   268.000  1.529
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    44   268.000  1.529
   42    43   570.000  1.229
   42    52   490.000  1.335
   52    53   434.000  1.010
   52    54   337.000  1.449
   54    55   340.000  1.090
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   295.000  1.489
   59    60   546.000  1.367
   59    70   427.000  1.381
   60    61   469.000  1.424
   60    62   285.000  1.502
   61    66   546.000  1.367
   61    67   285.000  1.502
   66    70   427.000  1.381
   66    72   375.000  1.423
   70    71   434.000  1.010
   72    73   340.000  1.080
   72    77   549.000  1.340
   77    81   380.000  1.444
   77    94   405.000  1.380
   81    82   549.000  1.340
   81    83   317.000  1.510
   82    86   320.000  1.464
   82    87   317.000  1.510
   86    94   500.000  1.261
   86    95   270.000  1.508
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   101   268.000  1.529
  101   102   340.000  1.090
  101   103   317.000  1.510
  101   114   337.000  1.449
  103   104   549.000  1.340
  103   105   317.000  1.510
  104   109   410.000  1.444
  104   111   317.000  1.510
  109   110   570.000  1.229
  109   114   490.000  1.335
  114   115   434.000  1.010
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   116   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  111.63000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    44    58.35000  112.70000
   33    54    52    70.00000  110.72300
   33    54    55    37.50000  110.70000
   33    54    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    48    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    52    70.00000  116.60000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    37.50000  110.70000
   42    37    38    35.00000  109.50000
   42    52    53    35.00000  119.80000
   42    52    54    50.00000  121.90000
   52    42    43    80.00000  122.90000
   52    54    55    35.00000  109.50000
   52    54    56    70.00000  110.72300
   54    33    37    58.35000  112.70000
   54    52    53    38.00000  118.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  113.44400
   56    54    55    37.50000  110.70000
   56    59    60    50.00000  133.50000
   56    59    70    65.00000  122.56900
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  110.47400
   59    56    58    45.00000  110.47400
   59    60    61    70.00000  107.30000
   59    60    62    60.00000  130.00000
   59    70    66    70.00000  109.80000
   59    70    71    35.00000  120.00000
   60    61    66    70.00000  107.30000
   60    61    67    60.00000  130.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    70    70.00000  107.70000
   61    66    72    50.00000  133.16000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    74    70.00000  112.17500
   66    70    71    35.00000  120.00000
   66    72    73    40.00000  117.26300
   66    72    77    55.00000  128.24000
   70    59    60    70.00000  107.70000
   72    66    70    70.00000  120.38000
   72    77    81    70.00000  123.01800
   72    77    94    70.00000  120.83400
   77    72    73    35.00000  120.00000
   77    81    82    70.00000  123.01800
   77    81    83    70.00000  124.00000
   77    94    86    75.00000  115.77100
   81    82    86    60.00000  120.31500
   81    82    87    70.00000  124.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    91    70.00000  112.02700
   82    86    94    70.00000  121.86000
   82    86    95    65.00000  117.24000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   86    95    96    45.00000  109.49600
   86    95    97    45.00000  109.49600
   86    95   101    70.00000  111.76100
   94    77    81    70.00000  120.83400
   95    86    94    65.00000  122.10100
   95   101   102    37.50000  110.70000
   95   101   103    70.00000  112.02700
   95   101   114    70.00000  110.72300
   97    95    96    33.00000  107.80000
  101    95    96    37.50000  110.70000
  101    95    97    37.50000  110.70000
  101   103   104    70.00000  124.00000
  101   103   105    65.00000  117.92700
  101   114   109    50.00000  121.90000
  101   114   115    38.00000  118.40000
  103   101   102    35.00000  109.50000
  103   104   109    70.00000  118.70000
  103   104   111    70.00000  124.00000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  104   109   110    80.00000  125.30000
  104   109   114    80.00000  111.56200
  104   111   112    35.00000  109.50000
  104   111   113    35.00000  109.50000
  104   111   116    70.00000  112.02700
  109   114   115    35.00000  119.80000
  114   101   102    35.00000  109.50000
  114   101   103    75.00000  110.78400
  114   109   110    80.00000  122.90000
  111   104   109    70.00000  119.70000
  111   116   117    37.50000  110.70000
  111   116   118    37.50000  110.70000
  111   116   119    37.50000  110.70000
  113   111   112    33.00000  107.80000
  116   111   112    37.50000  110.70000
  116   111   113    37.50000  110.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  105   103   104    70.00000  124.00000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   87    82    86    65.00000  117.22000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    81    82    70.00000  124.00000
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    98    70.00000  109.69300
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    98    99    70.00000  117.00000
   91    98   100    70.00000  117.00000
   93    91    92    33.00000  107.80000
   98    91    92    35.00000  109.50000
   98    91    93    35.00000  109.50000
  100    98    99    80.00000  126.00000
   67    61    66    60.00000  130.00000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    78    70.00000  109.69300
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    78    79    70.00000  117.00000
   74    78    80    70.00000  117.00000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   80    78    79    80.00000  126.00000
   62    60    61    60.00000  130.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    42    63.00000  111.10000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   41    39    40    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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
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  111   104   109   114   0.42750 -1.0 2.0
  111   104   109   114  -0.48350  1.0 3.0
  112   111   116   117   0.15000  1.0 3.0
  112   111   116   118   0.15000  1.0 3.0
  112   111   116   119   0.15000  1.0 3.0
  113   111   116   117   0.15000  1.0 3.0
  113   111   116   118   0.15000  1.0 3.0
  113   111   116   119   0.15000  1.0 3.0
  105   103   104   109   7.00000 -1.0 2.0
  105   103   104   111   7.00000 -1.0 2.0
   87    82    86    94   7.00000 -1.0 2.0
   87    82    86    95   7.00000 -1.0 2.0
   83    81    82    86   7.00000 -1.0 2.0
   83    81    82    87   7.00000 -1.0 2.0
   83    91    98    99   0.41150 -1.0 2.0
   83    91    98   100   0.41150 -1.0 2.0
   84    83    91    92   0.15000  1.0 3.0
   84    83    91    93   0.15000  1.0 3.0
   84    83    91    98  -0.11250  1.0 3.0
   85    83    91    92   0.15000  1.0 3.0
   85    83    91    93   0.15000  1.0 3.0
   85    83    91    98  -0.11250  1.0 3.0
   92    91    98    99   0.00000  1.0 1.0
   92    91    98   100   0.00000  1.0 1.0
   93    91    98    99   0.00000  1.0 1.0
   93    91    98   100   0.00000  1.0 1.0
   67    61    66    70   3.62500 -1.0 2.0
   67    61    66    72   3.62500 -1.0 2.0
   67    74    78    79   0.41150 -1.0 2.0
   67    74    78    80   0.41150 -1.0 2.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    78  -0.11250  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    78  -0.11250  1.0 3.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   62    60    61    66   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   44    37    42    43   0.30150 -1.0 2.0
   44    37    42    52   1.39750  1.0 1.0
   44    37    42    52  -0.07950 -1.0 2.0
   44    37    42    52  -0.18750  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33    37    44   0.56750  1.0 1.0
   39    33    37    44  -0.07550 -1.0 2.0
   39    33    37    44   0.20000  1.0 3.0
   39    33    54    52   0.43900  1.0 1.0
   39    33    54    52   0.49100 -1.0 2.0
   39    33    54    52   0.28400  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    56   0.56750  1.0 1.0
   39    33    54    56  -0.07550 -1.0 2.0
   39    33    54    56   0.20000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    50   0.15000  1.0 3.0
   40    39    48    51   0.15000  1.0 3.0
   41    39    48    49   0.15000  1.0 3.0
   41    39    48    50   0.15000  1.0 3.0
   41    39    48    51   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
   37    52    42    43  10.50000 -1.0 2.0
   53    42    52    54   1.00000 -1.0 2.0
   60    70    59    56   4.00000 -1.0 2.0
   61    62    60    59   4.00000 -1.0 2.0
   66    67    61    60   4.00000 -1.0 2.0
   72    70    66    61   4.00000 -1.0 2.0
   71    59    70    66   1.00000 -1.0 2.0
   66    73    72    77   1.10000 -1.0 2.0
   81    94    77    72   1.10000 -1.0 2.0
   77    83    81    82   1.10000 -1.0 2.0
   86    87    82    81   1.10000 -1.0 2.0
   82    95    86    94  10.50000 -1.0 2.0
  101   105   103   104   1.10000 -1.0 2.0
  109   111   104   103   1.10000 -1.0 2.0
  104   114   109   110  10.50000 -1.0 2.0
  115   109   114   101   1.00000 -1.0 2.0
   99    91    98   100  10.50000 -1.0 2.0
   79    74    78    80  10.50000 -1.0 2.0
END
