* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    224    357     661
    1     0 S   NP   _N1_     1    27.97044    94.57037   -23.77290
    2     1 S   H    _HN1     2     1.02777   107.61128   -79.26024
    3     1 S   H    _H1_     3     1.02962    84.63112    28.29279
    4     1 S   H    _H2_     4     1.02835    24.22396  -173.88320
    5     1 S   CT   _CA1     5     1.50113   129.16429   140.29642
    6     5 S   HC   _HA1     6     1.09576   105.24089    77.47741
    7     5 S   CO3  _C1_     7     1.53787   112.39892   -42.73996
    8     7 S   O2Z  _O11     8     1.26354   114.99447   -43.69872
    9     7 S   O2Z  _O12     9     1.26241   114.91540   135.49942
   10     5 S   CT   _CB1    10     1.53096   107.43105  -164.60790
   11    10 S   HC   HB11    11     1.09823   109.32933   -50.94423
   12    10 S   HC   HB12    12     1.09822   110.41534    65.60671
   13    10 S   CT   _CG1    13     1.52997   112.66923  -172.06835
   14    13 S   HC   HG11    14     1.09595   110.40824   -63.58202
   15    13 S   HC   HG12    15     1.09649   110.02147    55.62726
   16    13 S   C    _CD1    16     1.51801   112.32871   175.95756
   17    16 S   O    _OE1    17     1.22722   123.28769    -3.57221
   18    16 S   N    _N2_    18     1.38617   111.60925   176.65877
   19    18 S   H    _HN2    19     1.01595   119.01426     0.88933
   20    18 S   CT1  _CA2    20     1.46181   123.37304  -179.40587
   21    20 S   HC   _HA2    21     1.09666   109.18112   -12.15377
   22    20 S   C    _C2_    22     1.53358   108.47533  -127.56086
   23    22 S   O    _O2_    23     1.23000   122.25403  -145.92899
   24    20 S   CT   _CB2    32     1.53314   111.33042   109.97145
   25    24 S   HC   HB21    33     1.09416   109.77972    53.81129
   26    24 S   HC   HB22    34     1.09418   110.79818   172.12595
   27    22 S   N    _N3_    24     1.38498   113.32036    41.63405
   28    27 S   H    _HN3    25     1.01523   118.93477    -0.86615
   29    24 S   S    _SG2    35     1.82801   111.62043   -68.41118
   30    27 S   CT   _CA3    26     1.45448   123.45879   174.54127
   31    30 S   HC   HA31    27     1.09521   109.24651    24.13302
   32    30 S   HC   HA32    28     1.09493   107.11727   141.18508
   33    29 S   CT   _C31    36     1.84013    99.61895   159.47793
   34    33 S   HC   _H9_    37     1.09543   108.56208    27.47184
   35    30 S   CO3  _C3_    29     1.52949   113.13792   -99.31497
   36    35 S   O2Z  _O31    30     1.26403   115.45600   -42.40696
   37    35 S   O2Z  _O32    31     1.26360   114.94775   138.53625
   38    33 S   CT   _C32    38     1.55841   114.13365   -93.90434
   39    38 S   HC   _H10    39     1.09838   108.10910   158.96728
   40    38 S   CO4  _C33    40     1.52071   101.91950   -89.41318
   41    40 S   O    _O38    41     1.22414   124.15873   171.84072
   42    38 S   CT   _C34   114     1.51854   118.99454    34.16055
   43    42 S   HC   _H40   115     1.09447   112.46492   -64.56428
   44    42 S   HC   _H41   116     1.09620   110.08479   177.07678
   45    42 S   HC   _H42   117     1.09313   111.28488    58.31619
   46    40 S   CT   _C23    42     1.51606   111.22886    -7.22230
   47    46 S   HC   _H5_    43     1.09850   104.68434    93.73375
   48    46 S   CT   _C22    44     1.51458   115.27067  -145.47281
   49    48 S   HC   _H31    45     1.09591   112.34121    79.73151
   50    48 S   HC   _H32    46     1.09744   108.58901   -37.16624
   51    33 S   CT   _C24    60     1.56011   113.40568   150.17218
   52    51 S   HC   _H6_    61     1.10516   103.64021  -174.54102
   53    48 S   CM   _C21    47     1.50845   110.80915  -156.29355
   54    53 S   CM   _C20    48     1.34740   125.13225   -31.73584
   55    54 S   HC   _H30    49     1.09246   115.81974   173.71852
   56    53 S   CT   _C35   109     1.50980   114.81338   144.40415
   57    56 S   HC   _H43   110     1.09529   110.25025   -57.77254
   58    56 S   HC   _H44   111     1.09502   112.36477  -178.39380
   59    54 S   CT   _C19    50     1.53284   131.96251   -10.33358
   60    59 S   HC   _H4_    51     1.09263   106.12000   104.35312
   61    56 S   OH   _O39   112     1.42159   109.19688    61.78942
   62    61 S   HO   _H45   113     0.97217   106.99423  -178.56619
   63    59 S   C3T  _C15    52     1.53182   106.30335  -138.19883
   64    63 S   HC   _H3_    53     1.08974   110.66458    41.13668
   65    63 S   C3T  _C14    54     1.50845   119.20361   178.13156
   66    65 S   CT   _C27    55     1.51009   115.71028    -3.18051
   67    66 S   HC   _H8_    56     1.09699   107.34762  -160.99685
   68    63 S   C3T  _C16    75     1.51531   125.45380  -107.38901
   69    65 S   OS   _O34    84     1.45483   113.60471  -135.17397
   70    66 S   CT   _C26    57     1.55510   113.02892   -41.09018
   71    70 S   HC   _H7_    58     1.08995   103.90779   155.90467
   72    66 S   OS   _O35    68     1.44252   110.38754    82.77671
   73    68 S   CT   _C17    76     1.50902   121.39746     4.13900
   74    73 S   HC   _H24    77     1.09533   109.78069  -145.45676
   75    73 S   HC   _H25    78     1.09602   110.13213    96.18021
   76    73 S   HC   _H26    79     1.08991   114.96309   -23.47037
   77    68 S   CT   _C18    80     1.51791   115.96460   144.25027
   78    77 S   HC   _H27    81     1.09489   110.21787   152.60869
   79    77 S   HC   _H28    82     1.09491   112.70096    31.74090
   80    77 S   HC   _H29    83     1.09542   110.27749   -87.88876
   81    69 S   CO4  _C13    85     1.36404   117.58161  -147.70087
   82    81 S   O    _O33    86     1.21887   126.08675     0.29608
   83    59 S   CT   _C25    59     1.57255   119.06629   -16.81572
   84    70 S   CT   _C30    64     1.53907   109.98838   -92.78367
   85    84 S   HC   _H36    65     1.09442   112.00242    60.57894
   86    84 S   HC   _H37    66     1.09590   110.38599   -58.98262
   87    84 S   HC   _H38    67     1.09496   111.01292  -177.66083
   88    72 S   CO4  _C28    69     1.36219   117.87765   145.05221
   89    88 S   O    _O36    70     1.22324   126.39474     4.61456
   90    81 S   CM   _C12    87     1.48227   107.25272  -179.77445
   91    90 S   HC   _H23    88     1.08810   115.62483    -1.17603
   92    83 S   OH   _O37    62     1.45778   104.59259   -55.26414
   93    92 S   HO   _H39    63     0.97104   108.97517   -63.26932
   94    88 S   CT   _C29    71     1.49857   109.64106  -173.45195
   95    94 S   HC   _H33    72     1.09316   110.31297   -40.64515
   96    94 S   HC   _H34    73     1.09357   109.31810  -159.15768
   97    94 S   HC   _H35    74     1.09237   109.54633    80.67930
   98    90 S   CM   _C11    89     1.34123   126.73056   178.85671
   99    98 S   HC   _H22    90     1.09012   116.21488   179.92867
  100    98 S   CM   _C10    91     1.44669   128.56136    -0.16669
  101   100 S   HC   _H21    92     1.08483   118.37250    -0.20748
  102   100 S   CM   _C9_    93     1.34257   122.65766   179.86294
  103   102 S   HC   _H20    94     1.08781   120.09043    -0.04846
  104   102 S   CM   _C8_    95     1.44627   122.98332   179.94766
  105   104 S   HC   _H19    96     1.08735   117.33409     0.02798
  106   104 S   CM   _C7_    97     1.34146   123.12674   179.96044
  107   106 S   HC   _H18    98     1.08795   119.96325     0.32506
  108   106 S   CT   _C6_    99     1.50200   123.63162   179.71196
  109   108 S   HC   _H16   100     1.09664   108.41199  -121.35146
  110   108 S   HC   _H17   101     1.09691   110.79060    -4.45909
  111   108 S   CT   _C5_   102     1.52889   111.25794   117.78411
  112   111 S   HC   _H14   103     1.09685   110.11602    58.29145
  113   111 S   HC   _H15   104     1.09687   110.02172   -59.47242
  114   111 S   CT   _C4_   105     1.52082   111.43678   179.41449
  115   114 S   HC   _H11   106     1.09469   111.00265    60.30628
  116   114 S   HC   _H12   107     1.09470   110.99439   -60.22669
  117   114 S   HC   _H13   108     1.09452   110.25780  -179.96044
  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  10   5   4   3
  18   8   2   1   1  13   8  14   5   5   2   1   1  13   7  13
   5   4  13   4  11  14   5   5   3   2  15   7   1   1  19   7
  21  18   8  13   9  10   7   8   7   3   2   1   3   2   1   1
   6   3   6   4   2   1   1   5   4   6   3   1   1   3   2   1
   1   6   3   6   3   6   3   7   3   8   4   9   5   4   6   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    83    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    59    70    83    51    52    92    42    43    44    45  
   38    39    40    46    83    51    52    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    83    51    52    42    43    44    45  
   40    41    46    51    42    43    44    45  
   41    46    47    48    49    50    53    83    51    52    42    43    44    45  
   46    47    48    51    42  
   43    44    45    46    51  
   44    45  
   45  
    0  
   47    48    49    50    53    54    59    70    83    51    52    92    56  
   48    49    50    53    83    51    52  
   49    50    53    54    55    59    83    51    52    56    57    58    61  
   50    53    54    51    56  
   53    54    51    56  
   52    92    93    84    53    54    59    60    63    66    70    71    83  
   92    59    70    83  
   54    55    59    60    63    83    56    57    58    61    62  
   55    59    60    63    64    65    70    83    92    68    56    57    58    61  
   59    60    63    83    56  
   57    58    61    62    59  
   58    61    62  
   61    62  
   60    63    64    65    66    70    71    83    92    93    84    68    73    77    69  
   63    64    65    70    83    92    68  
   62  
    0  
   64    65    66    67    70    83    92    72    68    73    74    75    76    77    78    79    80    69    81  
   65    66    83    68    73    77    69  
   66    67    70    71    83    84    72    88    68    73    74    75    76    77    78    79    80    69    81    82    90  
   67    70    71    83    92    84    85    86    87    72    88    89    94    68    73    77    69    81  
   70    71    83    84    72    88    68    69  
   73    74    75    76    77    78    79    80    69    81    70    72    83  
   81    82    90    91    98    70    72    73    77  
   71    83    92    93    84    85    86    87    72    88  
   83    92    84    85    86    87    72  
   88    89    94    95    96    97    83    84  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    90    91    98    99   100  
   90    91    98  
   92    93    84    85    86    87  
   85    86    87    92  
   86    87  
   87  
    0  
   89    94    95    96    97  
   94    95    96    97  
   91    98    99   100   101   102  
   98    99   100  
   93  
    0  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104  
  100   101   102  
  101   102   103   104   105   106  
  102   103   104  
  103   104   105   106   107   108  
  104   105   106  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108   109   110   111   112   113   114  
  108   109   110   111  
  109   110   111   112   113   114   115   116   117  
  110   111   112   113   114  
  111   112   113   114  
  112   113   114   115   116   117  
  113   114   115   116   117  
  114   115   116   117  
  115   116   117  
  116   117  
  117  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  107   2.4200   0.0300   0.115000   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   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    63   275.000  1.510
   59    83   268.000  1.529
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    68   260.000  1.509
   65    66   275.000  1.510
   65    68   260.000  1.509
   65    69   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    83   268.000  1.529
   70    84   268.000  1.529
   83    51   268.000  1.529
   83    92   320.000  1.410
   51    52   340.000  1.090
   92    93   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   72    88   214.000  1.327
   88    89   570.000  1.229
   88    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   68    73   275.000  1.510
   68    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    81   214.000  1.327
   81    82   570.000  1.229
   81    90   320.000  1.462
   90    91   340.000  1.080
   90    98   549.000  1.340
   98    99   340.000  1.080
   98   100   380.000  1.444
  100   101   340.000  1.080
  100   102   549.000  1.340
  102   103   340.000  1.080
  102   104   380.000  1.444
  104   105   340.000  1.080
  104   106   549.000  1.340
  106   107   340.000  1.080
  106   108   317.000  1.510
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   268.000  1.529
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    62   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    51    46    58.35000  112.70000
   33    51    83    58.35000  112.70000
   33    51    52    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    48    63.00000  111.10000
   40    46    51    63.00000  111.10000
   46    40    41    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    53    70.00000  112.02700
   46    51    83    58.35000  112.70000
   46    51    52    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    53    54    70.00000  124.00000
   48    53    56    65.00000  117.92700
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    90.00000  110.39200
   54    59    60    35.00000  109.50000
   54    59    63    70.00000  112.02700
   54    59    83    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    63    64    40.00000  115.04500
   59    63    65    60.00000  120.94000
   59    63    68    60.00000  120.94000
   59    83    70    58.35000  112.70000
   59    83    51    58.35000  112.70000
   59    83    92    50.00000  109.50000
   63    59    60    45.00000  109.38400
   63    65    66    60.00000  120.94000
   63    65    68    10.00000   60.00500
   63    65    69    50.00000  109.50000
   63    68    65    10.00000   60.00500
   63    68    73    60.00000  120.94000
   63    68    77    60.00000  120.94000
   65    63    64    37.50000  117.20000
   65    66    67    45.00000  109.38400
   65    66    70    70.00000  112.37300
   65    66    72    50.00000  109.50000
   65    68    73    60.00000  120.94000
   65    68    77    60.00000  120.94000
   65    69    81    83.00000  116.90000
   66    70    71    37.50000  110.70000
   66    70    83    58.35000  112.70000
   66    70    84    58.35000  112.70000
   66    72    88    83.00000  116.90000
   70    66    67    37.50000  110.70000
   70    83    51    58.35000  112.70000
   70    83    92    50.00000  109.50000
   70    84    85    37.50000  110.70000
   70    84    86    37.50000  110.70000
   70    84    87    37.50000  110.70000
   83    59    60    37.50000  110.70000
   83    59    63    70.00000  112.37300
   83    70    71    37.50000  110.70000
   83    51    52    37.50000  110.70000
   83    92    93    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   92    83    51    50.00000  109.50000
   84    70    71    37.50000  110.70000
   84    70    83    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   72    88    89    83.00000  123.40000
   72    88    94    81.00000  111.40000
   88    94    95    35.00000  109.50000
   88    94    96    35.00000  109.50000
   88    94    97    35.00000  109.50000
   94    88    89    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   68    63    64    37.50000  117.20000
   68    63    65    10.00000   60.00500
   68    65    66    60.00000  120.94000
   68    73    74    45.00000  109.38400
   68    73    75    45.00000  109.38400
   68    73    76    45.00000  109.38400
   68    77    78    45.00000  109.38400
   68    77    79    45.00000  109.38400
   68    77    80    45.00000  109.38400
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    65    66    50.00000  109.50000
   69    65    68    50.00000  109.50000
   69    81    82    83.00000  123.40000
   69    81    90    90.00000  111.29400
   81    90    91    40.00000  117.72500
   81    90    98    65.00000  118.96000
   90    81    82    80.00000  123.72100
   90    98    99    35.00000  120.00000
   90    98   100    70.00000  123.01800
   98    90    91    35.00000  120.00000
   98   100   101    35.00000  120.00000
   98   100   102    70.00000  123.01800
  100    98    99    35.00000  120.00000
  100   102   103    35.00000  120.00000
  100   102   104    70.00000  123.01800
  102   100   101    35.00000  120.00000
  102   104   105    35.00000  120.00000
  102   104   106    70.00000  123.01800
  104   102   103    35.00000  120.00000
  104   106   107    35.00000  120.00000
  104   106   108    70.00000  124.00000
  106   104   105    35.00000  120.00000
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    70.00000  112.02700
  108   106   107    35.00000  117.00000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  111   114   115    37.50000  110.70000
  111   114   116    37.50000  110.70000
  111   114   117    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    37.50000  110.70000
  114   111   113    37.50000  110.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   56    53    54    70.00000  124.00000
   56    61    62    55.00000  108.50000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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
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   70    83    51    46   0.20000  1.0 3.0
   70    83    51    52   0.15000  1.0 3.0
   70    83    92    93  -0.11600  1.0 1.0
   70    83    92    93  -0.09450 -1.0 2.0
   70    83    92    93   0.21250  1.0 3.0
   71    70    83    59   0.15000  1.0 3.0
   71    70    83    51   0.15000  1.0 3.0
   71    70    83    92   0.23400  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    86   0.15000  1.0 3.0
   71    70    84    87   0.15000  1.0 3.0
   83    59    63    64   0.15000  1.0 3.0
   83    59   -63    65   0.07850  1.0 1.0
   83    59   -63    65  -0.03950 -1.0 2.0
   83    59   -63    65   0.67350  1.0 3.0
   83    59    63    68   0.07850  1.0 1.0
   83    59    63    68  -0.03950 -1.0 2.0
   83    59    63    68   0.67350  1.0 3.0
   83    70    84    85   0.15000  1.0 3.0
   83    70    84    86   0.15000  1.0 3.0
   83    70    84    87   0.15000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.95700  1.0 1.0
   51    33   -38    40  -0.18200 -1.0 2.0
   51    33   -38    40   0.29450  1.0 3.0
   51    33    38    42   0.56750  1.0 1.0
   51    33    38    42  -0.07550 -1.0 2.0
   51    33    38    42   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    53   0.34400  1.0 1.0
   51    46    48    53   0.09450 -1.0 2.0
   51    46    48    53   0.11100  1.0 3.0
   51    83    92    93  -0.11600  1.0 1.0
   51    83    92    93  -0.09450 -1.0 2.0
   51    83    92    93   0.21250  1.0 3.0
   92    83    51    33   0.86500  1.0 1.0
   92    83    51    33  -0.17500 -1.0 2.0
   92    83    51    33   0.20800  1.0 3.0
   92    83    51    46   0.86500  1.0 1.0
   92    83    51    46  -0.17500 -1.0 2.0
   92    83    51    46   0.20800  1.0 3.0
   92    83    51    52   0.23400  1.0 3.0
   84    70    83    59   0.56750  1.0 1.0
   84    70    83    59  -0.07550 -1.0 2.0
   84    70    83    59   0.20000  1.0 3.0
   84    70    83    51   0.56750  1.0 1.0
   84    70    83    51  -0.07550 -1.0 2.0
   84    70    83    51   0.20000  1.0 3.0
   84    70    83    92   0.86500  1.0 1.0
   84    70    83    92  -0.17500 -1.0 2.0
   84    70    83    92   0.20800  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    83   0.62750  1.0 1.0
   72    66    70    83  -0.30950 -1.0 2.0
   72    66    70    83   0.27300  1.0 3.0
   72    66    70    84   0.62750  1.0 1.0
   72    66    70    84  -0.30950 -1.0 2.0
   72    66    70    84   0.27300  1.0 3.0
   72    88    94    95   0.00000  1.0 1.0
   72    88    94    96   0.00000  1.0 1.0
   72    88    94    97   0.00000  1.0 1.0
   89    88    94    95   0.00000  1.0 1.0
   89    88    94    96   0.00000  1.0 1.0
   89    88    94    97   0.00000  1.0 1.0
   68    63   -65    66   0.07850  1.0 1.0
   68    63   -65    66  -0.03950 -1.0 2.0
   68    63   -65    66   0.67350  1.0 3.0
   68    63   -65    69  -0.26800  1.0 1.0
   68    63   -65    69   0.69150 -1.0 2.0
   68    63   -65    69  -0.48750  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    70   0.07850  1.0 1.0
   68    65    66    70  -0.03950 -1.0 2.0
   68    65    66    70   0.67350  1.0 3.0
   68    65    66    72  -0.26800  1.0 1.0
   68    65    66    72   0.69150 -1.0 2.0
   68    65    66    72  -0.48750  1.0 3.0
   68    65    69    81  -0.25900  1.0 1.0
   68    65    69    81  -0.47000 -1.0 2.0
   68    65    69    81   0.11750  1.0 3.0
   73    68    77    78   0.15000  1.0 3.0
   73    68    77    79   0.15000  1.0 3.0
   73    68    77    80   0.15000  1.0 3.0
   77    68    73    74   0.15000  1.0 3.0
   77    68    73    75   0.15000  1.0 3.0
   77    68    73    76   0.15000  1.0 3.0
   69    65    66    67   0.23400  1.0 3.0
   69    65    66    70   0.62750  1.0 1.0
   69    65    66    70  -0.30950 -1.0 2.0
   69    65    66    70   0.27300  1.0 3.0
   69    65    66    72   1.11900  1.0 1.0
   69    65    66    72  -1.16350 -1.0 2.0
   69    65    66    72  -0.34150  1.0 3.0
   69    65   -68    63  -0.26800  1.0 1.0
   69    65   -68    63   0.69150 -1.0 2.0
   69    65   -68    63  -0.48750  1.0 3.0
   69    65    68    73   0.62750  1.0 1.0
   69    65    68    73  -0.30950 -1.0 2.0
   69    65    68    73   0.27300  1.0 3.0
   69    65    68    77   0.62750  1.0 1.0
   69    65    68    77  -0.30950 -1.0 2.0
   69    65    68    77   0.27300  1.0 3.0
   69    81    90    91   1.63100 -1.0 2.0
   69    81    90    98  -0.56150  1.0 1.0
   69    81    90    98   2.19150 -1.0 2.0
   81    90    98    99   7.00000 -1.0 2.0
   81    90    98   100   7.00000 -1.0 2.0
   82    81    90    91   0.00000  1.0 1.0
   82    81    90    98   1.00000 -1.0 2.0
   90    98   100   101  -0.18600  1.0 3.0
   90    98   100   102   0.28850  1.0 1.0
   90    98   100   102   2.61350 -1.0 2.0
   90    98   100   102   0.78400  1.0 3.0
   91    90    98    99   7.00000 -1.0 2.0
   91    90    98   100   7.00000 -1.0 2.0
   98   100   102   103   7.00000 -1.0 2.0
   98   100   102   104   7.00000 -1.0 2.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102  -0.18600  1.0 3.0
  100   102   104   105  -0.18600  1.0 3.0
  100   102   104   106   0.28850  1.0 1.0
  100   102   104   106   2.61350 -1.0 2.0
  100   102   104   106   0.78400  1.0 3.0
  101   100   102   103   7.00000 -1.0 2.0
  101   100   102   104   7.00000 -1.0 2.0
  102   104   106   107   7.00000 -1.0 2.0
  102   104   106   108   7.00000 -1.0 2.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   106  -0.18600  1.0 3.0
  104   106   108   109   0.00000  1.0 1.0
  104   106   108   110   0.00000  1.0 1.0
  104   106   108   111   0.09850  1.0 1.0
  104   106   108   111   0.15250 -1.0 2.0
  104   106   108   111  -0.50650  1.0 3.0
  105   104   106   107   7.00000 -1.0 2.0
  105   104   106   108   7.00000 -1.0 2.0
  106   108   111   112   0.15000  1.0 3.0
  106   108   111   113   0.15000  1.0 3.0
  106   108   111   114   0.34400  1.0 1.0
  106   108   111   114   0.09450 -1.0 2.0
  106   108   111   114   0.11100  1.0 3.0
  107   106   108   109   0.33100  1.0 3.0
  107   106   108   110   0.33100  1.0 3.0
  107   106   108   111   0.00000  1.0 1.0
  108   111   114   115   0.15000  1.0 3.0
  108   111   114   116   0.15000  1.0 3.0
  108   111   114   117   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
  112   111   114   115   0.15000  1.0 3.0
  112   111   114   116   0.15000  1.0 3.0
  112   111   114   117   0.15000  1.0 3.0
  113   111   114   115   0.15000  1.0 3.0
  113   111   114   116   0.15000  1.0 3.0
  113   111   114   117   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62   0.19450  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   36    30    35    37  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   48    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   72    94    88    89  10.50000 -1.0 2.0
   69    90    81    82  10.50000 -1.0 2.0
   81    91    90    98  15.00000 -1.0 2.0
  100    99    98    90  15.00000 -1.0 2.0
   98   101   100   102  15.00000 -1.0 2.0
  104   103   102   100  15.00000 -1.0 2.0
  102   105   104   106  15.00000 -1.0 2.0
  108   107   106   104  15.00000 -1.0 2.0
END
