* LIGAND DATABASE FILE (OPLS2005)
*
001     118   122    219    345     631
    1     0 S   NP   _N1_     1    29.64884    90.33335   -19.73998
    2     1 S   H    _HN1     2     1.03143   113.26300   107.55887
    3     1 S   H    _H1_     3     1.02739     8.68772    59.11429
    4     1 S   H    _H2_     4     1.03239   110.31525   -11.66425
    5     1 S   CT   _CA1     5     1.49658   103.11693  -132.39011
    6     5 S   HC   _HA1     6     1.09582   105.22904    61.68045
    7     5 S   CO3  _C1_     7     1.53864   112.30283   -58.37436
    8     7 S   O2Z  _O11     8     1.26345   115.31196   -53.17720
    9     7 S   O2Z  _O12     9     1.26298   114.83058   126.02615
   10     5 S   CT   _CB1    10     1.53130   107.65761   179.54630
   11    10 S   HC   HB11    11     1.09841   109.62554   -51.13528
   12    10 S   HC   HB12    12     1.09792   110.48270    65.31180
   13    10 S   CT   _CG1    13     1.52986   112.28767  -172.18209
   14    13 S   HC   HG11    14     1.09585   111.21070   -63.65742
   15    13 S   HC   HG12    15     1.09615   110.56760    55.37390
   16    13 S   C    _CD1    16     1.51362   110.71855   175.16722
   17    16 S   O    _OE1    17     1.22863   121.69151   -99.97393
   18    16 S   N    _N2_    18     1.38374   113.00937    79.08267
   19    18 S   H    _HN2    19     1.01577   119.22063     5.38132
   20    18 S   CT1  _CA2    20     1.45764   122.68976   179.50032
   21    20 S   HC   _HA2    21     1.09738   108.82489    22.02194
   22    20 S   C    _C2_    22     1.52885   107.23066   -95.18589
   23    22 S   O    _O2_    23     1.22948   122.90955   -27.64629
   24    20 S   CT   _CB2    32     1.53404   112.58831   144.84156
   25    24 S   HC   HB21    33     1.09370   110.09525    59.24219
   26    24 S   HC   HB22    34     1.09359   109.23237   177.65824
   27    22 S   N    _N3_    24     1.38628   112.39769   155.44281
   28    27 S   H    _HN3    25     1.01491   119.73048     0.47271
   29    24 S   S    _SG2    35     1.82638   110.72018   -62.10773
   30    27 S   CT   _CA3    26     1.45435   122.75962   174.66715
   31    30 S   HC   HA31    27     1.09542   108.87676    31.92776
   32    30 S   HC   HA32    28     1.09475   107.19779   149.08580
   33    29 S   CT   _C24    36     1.84918   101.81501   179.86294
   34    30 S   CO3  _C3_    29     1.53088   113.63743   -90.96819
   35    34 S   O2Z  _O31    30     1.26375   115.87201   -29.48915
   36    34 S   O2Z  _O32    31     1.26416   114.64719   151.33495
   37    33 S   CT   _C25    37     1.56165   115.69792   -59.49310
   38    37 S   HC   _H4_    38     1.09654   110.89861    92.63969
   39    33 S   CT   _C29   115     1.54636   108.68373    64.59035
   40    39 S   HC   _H22   116     1.09614   112.07945    50.73546
   41    39 S   HC   _H23   117     1.09492   111.77464   -70.45262
   42    39 S   HC   _H24   118     1.09634   111.57070   170.84041
   43    37 S   C    _C26    39     1.52749   101.98404  -151.89115
   44    43 S   O    _O36    40     1.22185   125.85260  -161.79227
   45    37 S   CM   _C27   110     1.50909   117.59172   -36.98398
   46    45 S   HC   _H19   111     1.08804   118.28919   -49.72958
   47    43 S   N    _N6_    41     1.39260   107.74348    20.41283
   48    47 S   H    _H18    42     1.01496   122.71536   175.40735
   49    45 S   CM   _C28   112     1.33850   123.73371   130.65199
   50    49 S   HC   _H20   113     1.08491   120.45245   179.93439
   51    49 S   HC   _H21   114     1.08455   121.61991    -0.19584
   52    33 S   CT   _C23    43     1.55166   109.22010  -173.03311
   53    52 S   HC   _H3_    44     1.09804   110.49249    47.51794
   54    52 S   CM   _C22    45     1.50244   117.80247   -80.27061
   55    54 S   HC   _H17    46     1.08740   117.74352   -74.66820
   56    54 S   CM   _C21    47     1.34368   123.38123   104.28138
   57    56 S   CT   _C30    48     1.50692   124.93647  -178.14861
   58    57 S   HC   _H5_    49     1.09580   109.80010   -55.47480
   59    57 S   CT   _C31    50     1.54188   102.42531  -174.38766
   60    59 S   HC   _H6_    51     1.09449   111.10719  -121.91377
   61    57 S   CT   _C35   106     1.52838   112.18084    66.18487
   62    61 S   HC   _H29   107     1.09604   111.71276    55.15854
   63    61 S   HC   _H30   108     1.09529   111.10693   -65.23054
   64    61 S   HC   _H31   109     1.09531   110.45188   175.36481
   65    59 S   CD   _C20    52     1.51655   100.96116    -6.72164
   66    59 S   CT   _C32    97     1.53593   113.17352   112.32372
   67    66 S   HC   _H25    98     1.09639   110.12120  -167.78181
   68    66 S   HC   _H26    99     1.09798   109.59669   -52.11691
   69    65 S   CM   _C15    53     1.47373   122.68798  -173.26987
   70    56 S   NI   _N5_    96     1.36786   122.67664     0.32865
   71    66 S   CT   _C33   100     1.52862   113.35836    69.73971
   72    71 S   HC   _H27   101     1.09744   108.30248  -175.17119
   73    71 S   HC   _H28   102     1.09598   110.12633   -59.11934
   74    69 S   CM   _C16    54     1.47361   125.32967  -158.80421
   75    71 S   CO3  _C34   103     1.53233   116.42128    65.09904
   76    75 S   O2Z  _O38   104     1.26104   116.30183    20.08447
   77    75 S   O2Z  _O37   105     1.26440   114.32845  -160.29507
   78    74 S   CMA  _C17    55     1.35672   111.54486  -174.25680
   79    78 S   OM   _O33    56     1.25365   138.15991  -179.52071
   80    74 S   CO4  _C18    89     1.47338   125.24717     7.95744
   81    80 S   O    _O34    90     1.22177   124.45219  -127.76014
   82    78 S   CM   _C13    57     1.45240   104.05024    -1.81013
   83    80 S   OS   _O35    91     1.36023   108.79073    54.07248
   84    82 S   CM   _C12    58     1.34934   142.30548  -179.65508
   85    83 S   CT   _C19    92     1.42992   115.12585   179.81443
   86    85 S   HC   _H14    93     1.09323   108.10391   175.02823
   87    85 S   HC   _H15    94     1.09425   110.62810    56.25760
   88    85 S   HC   _H16    95     1.09404   110.04463   -66.30698
   89    84 S   CM   _C11    59     1.48787   107.26187   179.97202
   90    84 S   CT   _C36    85     1.48792   129.68364    -0.11703
   91    90 S   HC   _H33    86     1.09502   110.53161   119.14632
   92    90 S   HC   _H34    87     1.09252   112.64903    -0.86048
   93    90 S   HC   _H35    88     1.09508   110.52402  -120.74453
   94    89 S   NE   _N7_    60     1.38393   105.86892     0.08156
   95    94 S   H    _H32    61     1.01066   123.71958  -174.57509
   96    89 S   CM   _C10    63     1.34310   125.08842  -178.90747
   97    96 S   HC   _H13    64     1.08603   120.62253     1.91877
   98    69 S   CM   _C14    62     1.33404   127.02641    24.82421
   99    96 S   C5A  _C9_    65     1.41611   121.92944   179.71607
  100    99 S   C5BC _C6_    66     1.38718   135.25693    61.39682
  101   100 S   C5BC _C7_    67     1.43958   106.86987  -178.55517
  102   100 S   CT   _C5_    78     1.49864   126.83729     1.61677
  103   102 S   HC   _H10    79     1.09625   109.73980  -144.83369
  104   102 S   HC   _H11    80     1.09465   110.58523   -28.38523
  105   101 S   C5A  _C8_    68     1.38839   107.33352    -0.52489
  106   101 S   CT   _C38    74     1.48947   126.61300   178.70291
  107   106 S   HC   _H37    75     1.09482   110.82753   137.40776
  108   106 S   HC   _H38    76     1.09472   110.08637  -102.55933
  109   106 S   HC   _H39    77     1.09360   111.89787    17.76087
  110   102 S   CT   _C4_    81     1.52154   112.21397    93.16965
  111   110 S   HC   _H7_    82     1.09534   111.11892   -60.38397
  112   110 S   HC   _H8_    83     1.09456   110.26432   179.79064
  113   110 S   HC   _H9_    84     1.09508   111.35031    59.82708
  114    99 S   NA   _N4_    69     1.37004   116.98384  -119.08359
  115   114 S   H    _H12    70     1.01112   125.15215     0.87021
  116   105 S   CO4  _C37    71     1.44201   129.57680   178.74181
  117   116 S   O    _O39    72     1.22827   124.81995   178.11384
  118   116 S   HC   _H36    73     1.10315   115.67376    -1.83686
  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
  18   2   1   1  17   8   9   3   2   1   9   4   6   3   6   3
   2   1   1   6   3   8   3  12  14   9  17   8   6   2   1   1
  12  10   5   4  13   2   5   4   3  10   2   1   1  10   4   8
   2  10   4  11   3   2   1   1  12   6   2   1   1   5   2   9
   3   1  11  16  14   9   5   4   9   5   2   1   1   3   2   1
   1   4   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    52    53    54    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    52    53    54    55    56    45    46    49    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    52    53    54    45    46    49    50    51    39    40    41    42  
   43    44    47    52    45    46    49    39  
   40    41    42    43    45    47    52    53    54  
   41    42    52  
   42    52  
   52  
   44    47    48    52    53    54    45    46    49  
   47    48    52    45  
   46    49    50    51    47    52  
   49    50    51  
   48    52    53    54    55    56  
   52    53    54  
   50    51  
   51  
    0  
   53    54    55    56    57    70  
   54    55    56  
   55    56    57    58    59    65    70    61  
   56    57    70  
   57    58    59    60    65    69    70    66    61    62    63    64  
   58    59    60    65    69    70    66    67    68    71    61    62    63    64  
   59    60    65    70    66    61    62    63    64  
   60    65    69    74    98    70    66    67    68    71    72    73    75    61    62    63    64  
   65    69    70    66    67    68    71    61  
   62    63    64    65    66    70  
   63    64  
   64  
    0  
   69    74    78    82    94    98    80    70    66    67    68    71  
   67    68    71    72    73    75    76    77    69    70  
   68    71    72    73    75  
   71    72    73    75  
   74    78    79    82    84    89    94    95    98    80    81    83    70  
   74    98  
   72    73    75    76    77  
   73    75    76    77  
   75    76    77  
   78    79    82    84    94    98    80    81    83    85  
   76    77  
   77  
    0  
   79    82    84    89    94    98    90    80    81    83  
   82    84    98    80  
   81    83    85    86    87    88    82    98  
   83    85  
   84    89    94    95    98    96    90    91    92    93  
   85    86    87    88  
   89    94    95    98    96    97    99    90    91    92    93  
   86    87    88  
   87    88  
   88  
    0  
   94    95    98    96    97    99   100   114    90    91    92    93  
   91    92    93    94    96    98  
   92    93  
   93  
    0  
   95    98    96    97    99  
   98    96  
   97    99   100   101   105   114   115   102    98  
   99   100   114  
    0  
  100   101   105   114   115   116   106   102   103   104   110  
  101   105   114   115   116   106   107   108   109   102   103   104   110   111   112   113  
  105   114   115   116   117   118   106   107   108   109   102   103   104   110  
  103   104   110   111   112   113   105   106   114  
  104   110   111   112   113  
  110   111   112   113  
  114   115   116   117   118   106   107   108   109  
  107   108   109   114   116  
  108   109  
  109  
    0  
  111   112   113  
  112   113  
  113  
    0  
  115   116   117   118  
  116  
  117   118  
  118  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   70   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   71   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   75   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   85   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.2500   0.1700  -0.389700   1.8650   1.6500   0.051222218  -2.220205820
   95   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   99   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
  100   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  102   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
  106   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  115   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  116   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  117   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  118   2.4200   0.0150   0.000000   1.3810   1.2100   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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   317.000  1.510
   43    44   570.000  1.229
   43    47   490.000  1.335
   47    48   434.000  1.010
   47    52   337.000  1.449
   52    53   340.000  1.090
   52    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   317.000  1.510
   56    70   405.000  1.380
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   268.000  1.529
   59    60   340.000  1.090
   59    65   270.000  1.508
   59    66   268.000  1.529
   65    69   320.000  1.464
   65    70   500.000  1.261
   69    74   380.000  1.444
   69    98   549.000  1.340
   74    78   465.000  1.376
   74    80   320.000  1.462
   78    79   745.000  1.250
   78    82   465.000  1.376
   82    84   549.000  1.340
   82    98   380.000  1.444
   84    89   380.000  1.444
   84    90   317.000  1.510
   89    94   425.000  1.378
   89    96   549.000  1.340
   94    95   434.000  1.010
   94    98   425.000  1.378
   96    97   340.000  1.080
   96    99   375.000  1.423
   99   100   546.000  1.367
   99   114   427.000  1.381
  100   101   469.000  1.424
  100   102   285.000  1.502
  101   105   546.000  1.367
  101   106   285.000  1.502
  105   114   427.000  1.381
  105   116   335.000  1.450
  114   115   434.000  1.010
  116   117   570.000  1.229
  116   118   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   80    81   570.000  1.229
   80    83   214.000  1.327
   83    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   317.000  1.522
   75    76   656.000  1.250
   75    77   656.000  1.250
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   340.000  1.080
   49    51   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    70.00000  112.02700
   33    52    47    70.00000  110.72300
   33    52    53    37.50000  110.70000
   33    52    54    70.00000  112.02700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.60000
   37    45    46    35.00000  117.00000
   37    45    49    70.00000  124.00000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  119.80000
   43    47    52    50.00000  121.90000
   47    43    44    80.00000  122.90000
   47    52    53    35.00000  109.50000
   47    52    54    75.00000  110.78400
   52    33    37    58.35000  112.70000
   52    47    48    38.00000  118.40000
   52    54    55    35.00000  117.00000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  109.50000
   54    56    57    70.00000  124.00000
   54    56    70    70.00000  120.83400
   56    54    55    35.00000  120.00000
   56    57    58    35.00000  109.50000
   56    57    59    70.00000  112.02700
   56    57    61    70.00000  112.02700
   56    70    65    75.00000  115.77100
   57    59    60    37.50000  110.70000
   57    59    65    70.00000  111.76100
   57    59    66    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   59    57    58    37.50000  110.70000
   59    65    69    60.00000  124.00000
   59    65    70    65.00000  122.10100
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    71    58.35000  112.70000
   65    59    60    45.00000  109.49600
   65    69    74    60.00000  124.00000
   65    69    98    60.00000  124.00000
   69    74    78    70.00000  117.34000
   69    74    80    65.00000  118.96000
   69    98    82    70.00000  123.01800
   69    98    94    70.00000  124.03900
   74    78    79    65.00000  137.10300
   74    78    82    70.00000  123.01800
   74    80    81    80.00000  123.72100
   74    80    83    90.00000  111.29400
   78    82    84    70.00000  117.34000
   78    82    98    70.00000  117.34000
   82    78    79    65.00000  137.10300
   82    84    89    70.00000  123.01800
   82    84    90    70.00000  124.00000
   82    98    94    70.00000  124.03900
   84    89    94    70.00000  124.03900
   84    89    96    70.00000  123.01800
   84    90    91    35.00000  109.50000
   84    90    92    35.00000  109.50000
   84    90    93    35.00000  109.50000
   89    94    95    35.00000  114.50000
   89    94    98    75.00000  118.45600
   89    96    97    35.00000  120.00000
   89    96    99    55.00000  128.24000
   98    69    74    70.00000  123.01800
   98    82    84    70.00000  123.01800
   98    94    95    35.00000  114.50000
   96    89    94    70.00000  124.03900
   96    99   100    50.00000  133.16000
   96    99   114    70.00000  120.38000
   99    96    97    40.00000  117.26300
   99   100   101    70.00000  107.30000
   99   100   102    60.00000  130.00000
   99   114   105    70.00000  109.80000
   99   114   115    35.00000  120.00000
  100   101   105    70.00000  107.30000
  100   101   106    60.00000  130.00000
  100   102   103    35.00000  109.50000
  100   102   104    35.00000  109.50000
  100   102   110    70.00000  112.17500
  101   105   114    70.00000  107.70000
  101   105   116    55.00000  130.80000
  101   106   107    35.00000  109.50000
  101   106   108    35.00000  109.50000
  101   106   109    35.00000  109.50000
  105   114   115    35.00000  120.00000
  105   116   117    80.00000  122.40000
  105   116   118    35.00000  115.00000
  114    99   100    70.00000  107.70000
  116   105   114    70.00000  119.02500
  118   116   117    35.00000  123.00000
  106   101   105    60.00000  130.00000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  102   100   101    60.00000  130.00000
  102   110   111    37.50000  110.70000
  102   110   112    37.50000  110.70000
  102   110   113    37.50000  110.70000
  104   102   103    33.00000  107.80000
  110   102   103    37.50000  110.70000
  110   102   104    37.50000  110.70000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   90    84    89    70.00000  124.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   80    74    78    60.00000  125.92000
   80    83    85    83.00000  116.90000
   83    80    81    83.00000  123.40000
   83    85    86    35.00000  109.50000
   83    85    87    35.00000  109.50000
   83    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   70    56    57    65.00000  119.96000
   70    65    69    65.00000  125.00000
   66    59    60    37.50000  110.70000
   66    59    65    70.00000  111.76100
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    75    70.00000  109.69300
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    75    76    70.00000  117.00000
   71    75    77    70.00000  117.00000
   73    71    72    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    35.00000  109.50000
   77    75    76    80.00000  126.00000
   61    57    58    37.50000  110.70000
   61    57    59    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    70.00000  115.00700
   45    49    50    35.00000  120.00000
   45    49    51    35.00000  120.00000
   49    45    46    35.00000  120.00000
   51    49    50    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
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   70    56    57    58   0.00000  1.0 1.0
   70    56   -57    59   0.09700  1.0 1.0
   70    56   -57    59   0.15600 -1.0 2.0
   70    56   -57    59  -0.50800  1.0 3.0
   70    56    57    61   0.09700  1.0 1.0
   70    56    57    61   0.15600 -1.0 2.0
   70    56    57    61  -0.50800  1.0 3.0
   70    65    69    74   1.09650  1.0 1.0
   70    65    69    74   0.48950 -1.0 2.0
   70    65    69    74   0.49400  1.0 3.0
   70    65    69    98   1.09650  1.0 1.0
   70    65    69    98   0.48950 -1.0 2.0
   70    65    69    98   0.49400  1.0 3.0
   66    59    65    69   0.09850  1.0 1.0
   66    59    65    69   0.15250 -1.0 2.0
   66    59    65    69  -0.50650  1.0 3.0
   66    59    65    70   0.00000  1.0 1.0
   66    71    75    76   0.41150 -1.0 2.0
   66    71    75    77   0.41150 -1.0 2.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    75  -0.11250  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    75  -0.11250  1.0 3.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   73    71    75    76   0.00000  1.0 1.0
   73    71    75    77   0.00000  1.0 1.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    65   0.34400  1.0 1.0
   61    57    59    65   0.09450 -1.0 2.0
   61    57    59    65   0.11100  1.0 3.0
   61    57    59    66   0.56750  1.0 1.0
   61    57    59    66  -0.07550 -1.0 2.0
   61    57    59    66   0.20000  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    47   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.34400  1.0 1.0
   39    33    37    45   0.09450 -1.0 2.0
   39    33    37    45   0.11100  1.0 3.0
   39    33    52    47   0.43900  1.0 1.0
   39    33    52    47   0.49100 -1.0 2.0
   39    33    52    47   0.28400  1.0 3.0
   39    33    52    53   0.15000  1.0 3.0
   39    33    52    54   0.34400  1.0 1.0
   39    33    52    54   0.09450 -1.0 2.0
   39    33    52    54   0.11100  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    47    43    44  10.50000 -1.0 2.0
   48    43    47    52   1.00000 -1.0 2.0
   52    55    54    56   1.10000 -1.0 2.0
   57    70    56    54   1.10000 -1.0 2.0
   59    69    65    70  10.50000 -1.0 2.0
   65    74    69    98   1.10000 -1.0 2.0
   69    80    74    78   1.10000 -1.0 2.0
   82    79    78    74   1.10000 -1.0 2.0
   78    98    82    84   1.10000 -1.0 2.0
   89    90    84    82   1.10000 -1.0 2.0
   84    94    89    96   1.10000 -1.0 2.0
   95    89    94    98   1.00000 -1.0 2.0
   82    94    98    69   1.10000 -1.0 2.0
   99    97    96    89   1.10000 -1.0 2.0
  100   114    99    96   4.00000 -1.0 2.0
  101   102   100    99   4.00000 -1.0 2.0
  105   106   101   100   4.00000 -1.0 2.0
  116   114   105   101   4.00000 -1.0 2.0
  115    99   114   105   1.00000 -1.0 2.0
  105   118   116   117  10.50000 -1.0 2.0
   74    83    80    81  10.50000 -1.0 2.0
   76    71    75    77  10.50000 -1.0 2.0
   37    46    45    49  15.00000 -1.0 2.0
   50    51    49    45  15.00000 -1.0 2.0
END
