* LIGAND DATABASE FILE (OPLS2005)
*
001     119   120    225    333     665
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02076    82.42340    51.75209
    3     1 S   H    _H1_     3     1.02123    34.87534  -169.14738
    4     1 S   H    _H2_     4     1.02098    96.96695   -56.31919
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C10    36     1.83746    97.40311   161.86378
   34    33 S   HC   _H3_    37     1.10489   104.53732   -55.90276
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C4_    38     1.51900   107.17388    59.97432
   39    38 S   HC   _H39    39     1.06976   114.22901    47.97402
   40    33 S   CT   _C21    62     1.56546   114.43678  -172.71137
   41    38 S   CMA  _C5_    40     1.35763   128.45141  -132.99458
   42    41 S   OM   _O30    41     1.26482   127.66886   175.46871
   43    40 S   CT   _C27    63     1.53932   113.03801   -67.25996
   44    43 S   HC   _H70    64     1.08476   109.19584  -180.00000
   45    43 S   HC   _H71    65     1.08413   109.21007    60.00097
   46    43 S   HC   _H72    66     1.08413   109.19189   -60.05066
   47    40 S   OH   _O38    67     1.44767   105.29585   178.45528
   48    47 S   HO   _H85    68     0.96327   105.36818   179.98022
   49    41 S   CT   _C11    42     1.55378   120.14319    -5.45654
   50    49 S   HC   _H45    43     1.10228   108.34124   -15.42418
   51    49 S   CT   _C8_    44     1.55180   111.53165    99.74117
   52    51 S   HC   _H40    45     1.08123   110.01975   -45.74673
   53    51 S   HC   _H41    46     1.08812   108.28518    70.75467
   54    49 S   CT   _C22   116     1.54223   113.60851  -131.02697
   55    54 S   HC   _H55   117     1.08400   109.24239   -62.09610
   56    54 S   HC   _H56   118     1.08474   109.17264   177.81717
   57    54 S   HC   _H57   119     1.08485   109.16048    57.91986
   58    51 S   CT   _C14    47     1.55255   113.52613  -167.94283
   59    58 S   HC   _H48    48     1.07960   110.56543    16.02257
   60    58 S   CT   _C16    49     1.55488   112.93215   135.97648
   61    60 S   HC   _H50    50     1.07082   107.74034   166.57987
   62    58 S   CT   _C25   112     1.53778   109.94836  -101.31100
   63    62 S   HC   _H64   113     1.08731   109.55033   -60.19615
   64    62 S   HC   _H65   114     1.08719   109.58755   179.92598
   65    62 S   HC   _H66   115     1.08695   109.61343    59.83911
   66    60 S   CT   _C13    51     1.54904   113.99991   -70.74271
   67    66 S   HC   _H47    52     1.08007   112.05737    55.64206
   68    60 S   OS   _O39    84     1.42978   109.59687    51.26781
   69    66 S   CO4  _C6_    53     1.53349   112.71171   -64.70177
   70    69 S   O    _O33    54     1.23216   121.98273   -23.05014
   71    66 S   CT   _C24    80     1.53373   111.05616   174.30963
   72    71 S   HC   _H61    81     1.08770   109.66357    57.93903
   73    71 S   HC   _H62    82     1.08744   109.61530   -62.10574
   74    71 S   HC   _H63    83     1.08808   109.66634   177.93986
   75    68 S   CO   _C20    85     1.42716   111.21087   116.16259
   76    75 S   HC   _H54    86     1.09672   107.21768    60.00838
   77    69 S   CT   _C12    55     1.52756   116.74057   157.12656
   78    77 S   HC   _H46    56     1.09977   107.40907    17.76256
   79    75 S   CT   _C17    87     1.53218   107.92527   179.60386
   80    79 S   HC   _H51    88     1.09715   109.52574    51.48859
   81    77 S   CO4  _C7_    57     1.51378   112.62350  -101.98795
   82    81 S   O    _O34    58     1.22328   124.45525   -42.30819
   83    77 S   CT   _C23    76     1.52418   110.56590   135.34837
   84    83 S   HC   _H58    77     1.08978   109.97289    62.74494
   85    83 S   HC   _H59    78     1.08925   109.98337   -57.27926
   86    83 S   HC   _H60    79     1.09008   109.92851  -177.25690
   87    79 S   CT   _C15    89     1.53449   110.94025   173.93418
   88    87 S   HC   _H49    90     1.09397   109.38078    70.36513
   89    79 S   OH   _O37   110     1.42734   107.90584   -65.63229
   90    89 S   HO   _H84   111     0.96888   106.48817   -61.08887
   91    81 S   OS   _O35    59     1.36392   109.13857   138.00392
   92    87 S   CT   _C9_    91     1.53051   110.47559   -50.05149
   93    92 S   HC   _H42    92     1.09750   110.40379   174.15977
   94    92 S   HC   _H43    93     1.09814   109.27539   -67.95215
   95    87 S   NTH0 _N29   101     1.46422   110.84672  -171.62891
   96    91 S   CT   _C19    60     1.45122   119.51236  -178.13954
   97    96 S   HC   _H53    61     1.09764   109.26822   -40.67645
   98    92 S   CT   _C18    94     1.52939   110.22371    52.10090
   99    98 S   HC   _H52    95     1.09664   110.57059    62.41339
  100    95 S   CT   _C29   102     1.46145   110.38958   -77.85568
  101   100 S   HC   _H76   103     1.09339   110.12153   179.96044
  102   100 S   HC   _H77   104     1.09362   110.25218    59.97001
  103   100 S   HC   _H78   105     1.09279   110.22588   -60.00864
  104    95 S   CT   _C30   106     1.46179   110.40126   159.58592
  105   104 S   HC   _H79   107     1.09280   110.03746  -179.96044
  106   104 S   HC   _H80   108     1.09344   110.20695    60.02989
  107   104 S   HC   _H81   109     1.09343   110.24257   -59.98474
  108    96 S   CT   _C31    69     1.52954   105.66655  -154.52819
  109   108 S   HC   _H82    70     1.09374   109.26277   177.30093
  110   108 S   HC   _H83    71     1.09435   109.25324   -65.30539
  111    75 S   OS   _O36    96     1.42617   109.71973   -59.59164
  112    98 S   CT   _C26    97     1.52317   111.10637  -176.86250
  113   112 S   HC   _H67    98     1.09103   110.01313    58.13823
  114   112 S   HC   _H68    99     1.09058   110.04060   -61.82745
  115   112 S   HC   _H69   100     1.08985   110.03895   178.17329
  116   108 S   CT   _C28    72     1.49567   111.78314    55.96133
  117   116 S   HC   _H73    73     1.09650   109.72333   -58.77327
  118   116 S   HC   _H74    74     1.09485   110.75591  -178.06548
  119   116 S   HC   _H75    75     1.09473   110.77830    60.53474
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  11   4  15  11   4   9   4   3   2   5   1
  12   8  16   6   5   4   2   1   1  13   8  19   7   5   2   1
   1  13   8  10  14   5   4   2   1   1  13   6   9   7  13   7
   9   3   4   2   1   1  19   8   4   1   6  12   6   5   9   8
   4   6   5   7   3   2   1   3   2   1   1   6   5   4   4   3
   2   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    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    41    96    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    91    96    97    40    43    44    45    46    47    48   108  
   38    39    41    96    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    50    51    96    40    43    47    54  
   41    42    49    40  
   43    44    45    46    47    48   108   109   110   116    41    81    91    96    97  
   42    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   44    45    46    47    48   108    91    96    97  
   45    46    47    96  
   46    47    96  
   47    96  
   48   108    91    96    97  
   96  
   50    51    52    53    58    59    60    62    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    66    68    62    63    64    65    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    66    67    69    71    68    75    62    63    64    65  
   60    61    66    68    62    63    64    65  
   61    66    67    69    70    77    71    72    73    74    68    75    76    79   111    62    63    64    65  
   66    67    69    71    68    75    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    69    70    77    78    81    83    71    72    73    74    68    75  
   69    70    77    71    72    73    74    68  
   75    76    79    80    87    98   111    89    69    71  
   70    77    78    81    82    91    83    84    85    86    71    72    73    74  
   77    78    81    83    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    79    80    87    88    92    98    99   111   112    95    89    90  
   79    80    87    98   111    89  
   78    81    82    91    96    83    84    85    86  
   81    82    91    83    84    85    86  
   80    87    88    92    93    94    98   111    95   100   104    89    90  
   87    88    92   111    95    89    90  
   82    91    96    97   108    83    84    85    86  
   91    96    83  
   84    85    86    91  
   85    86  
   86  
    0  
   88    92    93    94    98    99   111   112    95   100   101   102   103   104   105   106   107    89    90  
   92    93    94    98    95   100   104    89  
   90    92    95   111  
    0  
   96    97   108   109   110   116  
   93    94    98    99   111   112   113   114   115    95   100   104  
   94    98    99   111   112    95  
   98    99   111   112    95  
  100   101   102   103   104   105   106   107    98  
   97   108   109   110   116   117   118   119  
  108   109   110   116  
   99   111   112   113   114   115  
  111   112   113   114   115  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107  
  106   107  
  107  
    0  
  109   110   116   117   118   119  
  110   116   117   118   119  
  116   117   118   119  
  112   113   114   115  
  113   114   115  
  114   115  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   96   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    49   270.000  1.512
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   320.000  1.410
   66    67   340.000  1.090
   66    69   317.000  1.522
   66    71   268.000  1.529
   69    70   570.000  1.229
   69    77   317.000  1.522
   77    78   340.000  1.090
   77    81   317.000  1.522
   77    83   268.000  1.529
   81    82   570.000  1.229
   81    91   214.000  1.327
   91    96   320.000  1.410
   96    97   340.000  1.090
   96    40   268.000  1.529
   96   108   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   116   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   68    75   320.000  1.380
   75    76   340.000  1.090
   75    79   250.000  1.527
   75   111   320.000  1.380
   79    80   340.000  1.090
   79    87   268.000  1.529
   79    89   320.000  1.410
   87    88   340.000  1.090
   87    92   268.000  1.529
   87    95   310.000  1.447
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    98   268.000  1.529
   98    99   340.000  1.090
   98   111   320.000  1.410
   98   112   268.000  1.529
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
   95   100   310.000  1.447
   95   104   310.000  1.447
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   89    90   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    96    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    49    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    49    50    45.00000  110.52000
   41    49    51    70.00000  112.02700
   41    49    54    70.00000  112.02700
   49    41    42    85.00000  112.85300
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    69    63.00000  111.10000
   60    66    71    58.35000  112.70000
   60    68    75    60.00000  109.50000
   66    60    61    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    77    70.00000  116.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   69    66    67    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    81    75.00000  107.99600
   69    77    83    63.00000  111.10000
   77    69    70    80.00000  120.40000
   77    81    82    80.00000  120.40000
   77    81    91    81.00000  111.40000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   81    77    78    35.00000  109.50000
   81    91    96    83.00000  116.90000
   91    81    82    83.00000  123.40000
   91    96    97    35.00000  109.50000
   91    96    40    50.00000  109.50000
   91    96   108    50.00000  109.50000
   96    40    43    58.35000  112.70000
   96    40    47    50.00000  109.50000
   96   108   109    37.50000  110.70000
   96   108   110    37.50000  110.70000
   96   108   116    58.35000  112.70000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    96    97    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
  108    96    97    37.50000  110.70000
  108    96    40    58.35000  112.70000
  108   116   117    37.50000  110.70000
  108   116   118    37.50000  110.70000
  108   116   119    37.50000  110.70000
  110   108   109    33.00000  107.80000
  116   108   109    37.50000  110.70000
  116   108   110    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
   83    77    78    37.50000  110.70000
   83    77    81    63.00000  111.10000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    69    63.00000  111.10000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    66    50.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    79    90.00000  108.56700
   68    75   111    92.60000  111.55000
   75    79    80    45.00000  108.72000
   75    79    87    75.00000  109.43000
   75    79    89    90.00000  111.58700
   75   111    98    60.00000  109.50000
   79    75    76    45.00000  112.01100
   79    87    88    37.50000  110.70000
   79    87    92    58.35000  112.70000
   79    87    95    75.00000  113.73300
   79    89    90    55.00000  108.50000
   87    79    80    37.50000  110.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    98    58.35000  112.70000
   87    95   100    80.00000  110.40700
   87    95   104    80.00000  110.40700
   92    87    88    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   111    50.00000  109.50000
   92    98   112    58.35000  112.70000
   94    92    93    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    37.50000  110.70000
   98   112   113    37.50000  110.70000
   98   112   114    37.50000  110.70000
   98   112   115    37.50000  110.70000
  111    75    76    35.00000  109.50000
  111    75    79    90.00000  108.56700
  111    98    99    35.00000  109.50000
  112    98    99    37.50000  110.70000
  112    98   111    50.00000  109.50000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
   95    87    88    50.00000  110.15500
   95    87    92    75.00000  113.73300
   95   100   101    50.00000  110.15500
   95   100   102    50.00000  110.15500
   95   100   103    50.00000  110.15500
   95   104   105    50.00000  110.15500
   95   104   106    50.00000  110.15500
   95   104   107    50.00000  110.15500
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    95   100    80.00000  110.40700
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   89    79    80    35.00000  109.50000
   89    79    87    50.00000  109.50000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
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   75    79    89    90  -0.11600  1.0 1.0
   75    79    89    90  -0.09450 -1.0 2.0
   75    79    89    90   0.21250  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    87   0.15000  1.0 3.0
   76    75    79    89   0.23400  1.0 3.0
   76    75   111    98   0.37050  1.0 3.0
   79    75   111    98   0.06250  1.0 1.0
   79    75   111    98  -0.01100 -1.0 2.0
   79    75   111    98   0.28050  1.0 3.0
   79    87    92    93   0.15000  1.0 3.0
   79    87    92    94   0.15000  1.0 3.0
   79    87   -92    98   0.56750  1.0 1.0
   79    87   -92    98  -0.07550 -1.0 2.0
   79    87   -92    98   0.20000  1.0 3.0
   79    87    95   100   1.99000  1.0 1.0
   79    87    95   100   0.18800 -1.0 2.0
   79    87    95   100   0.81350  1.0 3.0
   79    87    95   104   1.99000  1.0 1.0
   79    87    95   104   0.18800 -1.0 2.0
   79    87    95   104   0.81350  1.0 3.0
   80    79    87    88   0.15000  1.0 3.0
   80    79    87    92   0.15000  1.0 3.0
   80    79    87    95   0.15000  1.0 3.0
   80    79    89    90   0.19450  1.0 3.0
   87    79    89    90  -0.11600  1.0 1.0
   87    79    89    90  -0.09450 -1.0 2.0
   87    79    89    90   0.21250  1.0 3.0
   87    92    98    99   0.15000  1.0 3.0
   87    92    98   111   0.62750  1.0 1.0
   87    92    98   111  -0.30950 -1.0 2.0
   87    92    98   111   0.27300  1.0 3.0
   87    92    98   112   0.56750  1.0 1.0
   87    92    98   112  -0.07550 -1.0 2.0
   87    92    98   112   0.20000  1.0 3.0
   87    95   100   101   0.28000  1.0 3.0
   87    95   100   102   0.28000  1.0 3.0
   87    95   100   103   0.28000  1.0 3.0
   87    95   104   105   0.28000  1.0 3.0
   87    95   104   106   0.28000  1.0 3.0
   87    95   104   107   0.28000  1.0 3.0
   88    87    92    93   0.15000  1.0 3.0
   88    87    92    94   0.15000  1.0 3.0
   88    87    92    98   0.15000  1.0 3.0
   88    87    95   100   0.28000  1.0 3.0
   88    87    95   104   0.28000  1.0 3.0
   92    87    95   100   1.99000  1.0 1.0
   92    87    95   100   0.18800 -1.0 2.0
   92    87    95   100   0.81350  1.0 3.0
   92    87    95   104   1.99000  1.0 1.0
   92    87    95   104   0.18800 -1.0 2.0
   92    87    95   104   0.81350  1.0 3.0
   92    98  -111    75   0.06250  1.0 1.0
   92    98  -111    75  -0.01100 -1.0 2.0
   92    98  -111    75   0.28050  1.0 3.0
   92    98   112   113   0.15000  1.0 3.0
   92    98   112   114   0.15000  1.0 3.0
   92    98   112   115   0.15000  1.0 3.0
   93    92    98    99   0.15000  1.0 3.0
   93    92    98   111   0.23400  1.0 3.0
   93    92    98   112   0.15000  1.0 3.0
   94    92    98    99   0.15000  1.0 3.0
   94    92    98   111   0.23400  1.0 3.0
   94    92    98   112   0.15000  1.0 3.0
   99    98   111    75   0.37050  1.0 3.0
   99    98   112   113   0.15000  1.0 3.0
   99    98   112   114   0.15000  1.0 3.0
   99    98   112   115   0.15000  1.0 3.0
  111    75    79    80   0.23400  1.0 3.0
  111    75   -79    87   0.62750  1.0 1.0
  111    75   -79    87  -0.30950 -1.0 2.0
  111    75   -79    87   0.27300  1.0 3.0
  111    75    79    89   3.69350  1.0 1.0
  111    75    79    89  -1.82950 -1.0 2.0
  111    98   112   113   0.23400  1.0 3.0
  111    98   112   114   0.23400  1.0 3.0
  111    98   112   115   0.23400  1.0 3.0
  112    98   111    75   0.06250  1.0 1.0
  112    98   111    75  -0.01100 -1.0 2.0
  112    98   111    75   0.28050  1.0 3.0
   95    87    92    93   0.15000  1.0 3.0
   95    87    92    94   0.15000  1.0 3.0
   95    87    92    98   1.85550  1.0 1.0
   95    87    92    98  -0.84100 -1.0 2.0
  100    95   104   105   0.28000  1.0 3.0
  100    95   104   106   0.28000  1.0 3.0
  100    95   104   107   0.28000  1.0 3.0
  104    95   100   101   0.28000  1.0 3.0
  104    95   100   102   0.28000  1.0 3.0
  104    95   100   103   0.28000  1.0 3.0
   89    79    87    88   0.23400  1.0 3.0
   89    79    87    92   0.86500  1.0 1.0
   89    79    87    92  -0.17500 -1.0 2.0
   89    79    87    92   0.20800  1.0 3.0
   89    79    87    95   3.18500  1.0 1.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.56750  1.0 1.0
   62    58    60    66  -0.07550 -1.0 2.0
   62    58    60    66   0.20000  1.0 3.0
   62    58    60    68   0.62750  1.0 1.0
   62    58    60    68  -0.30950 -1.0 2.0
   62    58    60    68   0.27300  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  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    41   1.10000 -1.0 2.0
   49    42    41    38   1.10000 -1.0 2.0
   66    77    69    70  10.50000 -1.0 2.0
   77    91    81    82  10.50000 -1.0 2.0
END
