* LIGAND DATABASE FILE (OPLS2005)
*
001     120   124    223    345     638
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02031   102.80911   -40.90859
    3     1 S   H    _H1_     3     1.02066    72.64392    64.92546
    4     1 S   H    _H2_     4     1.02127    41.14617  -144.71081
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C35    36     1.80604    98.14668  -178.23764
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   C5BC _C13    37     1.49532   110.48697    60.03241
   38    33 S   CM   _C32    84     1.57281   110.56619   -52.27351
   39    33 S   OH   _O38   119     1.42095   112.20784  -175.14502
   40    39 S   HO   _H34   120     0.97101   106.75766    55.55788
   41    37 S   C5BC _C12    38     1.40082   142.27076    64.73275
   42    38 S   CMA  _C33    85     1.33982   126.00127   -67.87039
   43    42 S   OM   _O36    86     1.27362   124.59744     3.93323
   44    41 S   C5A  _C11    39     1.39037   106.21596   179.68348
   45    42 S   OS   _O37    87     1.42389   110.14191  -176.03834
   46    41 S   CT   _C36   115     1.47536   126.96132    -0.39167
   47    46 S   HC   _H35   116     1.10337   111.14122    90.04424
   48    46 S   HC   _H36   117     1.10391   112.08747  -149.47933
   49    46 S   HC   _H37   118     1.10372   112.10005   -30.42370
   50    44 S   NA   _N5_    40     1.38580   109.07764    -0.25944
   51    50 S   H    _H14    41     1.01161   125.81751  -179.56931
   52    45 S   CT   _C34    88     1.42746   116.28210   179.95577
   53    52 S   HC   _H31    89     1.09269   109.55247  -179.96044
   54    52 S   HC   _H32    90     1.09261   109.45904    59.27263
   55    52 S   HC   _H33    91     1.09247   109.01948   -60.35061
   56    44 S   CT   _C10    92     1.47711   130.39950   179.86730
   57    56 S   HC   _H12    93     1.10857   111.19768    44.99255
   58    56 S   HC   _H13    94     1.10943   111.19050   159.18619
   59    37 S   C5A  _C14    42     1.36776   110.46741  -116.05226
   60    56 S   C5A  _C9_    95     1.52133   114.41290   -77.95265
   61    59 S   CM   _C15    43     1.40369   113.87069    -0.38155
   62    60 S   C5BC _C6_    96     1.37793   131.06543   124.58322
   63    61 S   CM   _C16    44     1.33906   124.19851   178.49026
   64    62 S   C5BC _C7_    97     1.41651   107.35317   180.00000
   65    62 S   CT   _C5_   108     1.47720   126.17033    -0.08847
   66    65 S   HC   _H9_   109     1.10675   111.06479  -134.90962
   67    65 S   HC   _H10   110     1.10656   111.07783   -18.89642
   68    63 S   CT   _C17    45     1.51083   124.38353     0.07133
   69    68 S   HC   _H3_    46     1.06377   108.65464    43.00522
   70    64 S   C5A  _C8_    98     1.37764   107.41634     0.03426
   71    64 S   CT   _C38   104     1.47853   126.27653   179.90721
   72    71 S   HC   _H39   105     1.10136   111.00700    89.95832
   73    71 S   HC   _H40   106     1.10215   111.96148  -149.43487
   74    71 S   HC   _H41   107     1.10281   111.90174   -30.46762
   75    65 S   CT   _C4_   111     1.53162   112.83208   103.09200
   76    75 S   HC   _H6_   112     1.09507   110.81282   -56.51994
   77    75 S   HC   _H7_   113     1.09465   111.22031  -176.75243
   78    75 S   HC   _H8_   114     1.09541   110.75289    63.16351
   79    68 S   CT   _C18    47     1.53841   100.94129   159.37327
   80    79 S   HC   _H4_    48     1.12671   108.47263   -96.53739
   81    68 S   CT   _C29    75     1.52784   110.83696   -77.53008
   82    81 S   HC   _H27    76     1.08716   108.09927   -80.03879
   83    81 S   HC   _H28    77     1.08864   106.99497    36.09624
   84    60 S   NA   _N4_    99     1.37058   121.09571   -55.44134
   85    84 S   H    _H11   100     1.01048   125.19508    -0.05595
   86    70 S   CO4  _C37   101     1.42907   128.80238  -179.95154
   87    86 S   O    _O39   102     1.24817   124.03487   179.95154
   88    86 S   HC   _H38   103     1.12341   118.50730    -0.05935
   89    79 S   CD   _C19    49     1.50920   100.36950    17.05646
   90    79 S   CT   _C28    71     1.51900   116.62051   140.49065
   91    90 S   HC   _H24    72     1.08997   109.95893   -57.15816
   92    90 S   HC   _H25    73     1.08983   109.91748  -177.07939
   93    90 S   HC   _H26    74     1.08955   110.00036    62.89848
   94    81 S   CT   _C30    78     1.51578   111.69998   156.33871
   95    94 S   HC   _H29    79     1.09741   107.54066   -59.38234
   96    94 S   HC   _H30    80     1.09756   110.15388    56.86100
   97    63 S   NI   _N6_    50     1.37325   123.21610   177.90230
   98    89 S   CT   _C20    51     1.49530   121.91685   169.87094
   99    98 S   HC   _H15    52     1.09288   108.40662  -179.97202
  100    98 S   HC   _H16    53     1.09425   108.00480   -62.54922
  101    94 S   CO3  _C31    81     1.53260   116.95870  -178.60030
  102   101 S   O2Z  _O35    82     1.26140   116.50326   179.93147
  103   101 S   O2Z  _O34    83     1.26525   114.17264    -0.69436
  104    98 S   CT   _C21    54     1.51383   110.45071    58.51627
  105   104 S   HC   _H5_    55     1.09512   110.95515   -53.39609
  106   104 S   CM   _C22    56     1.50564   113.99245  -179.92867
  107   106 S   CM   _C23    57     1.34361   112.70493  -118.11653
  108   106 S   CT   _C27    67     1.49293   119.41440    63.07432
  109   108 S   HC   _H21    68     1.08992   109.83548   -91.42817
  110   108 S   HC   _H22    69     1.09054   109.85595   148.39339
  111   108 S   HC   _H23    70     1.08959   109.88090    28.76631
  112   107 S   C    _C24    58     1.48299   106.66305    -0.69012
  113   112 S   O    _O33    59     1.22045   125.38123  -179.56659
  114   107 S   CM   _C25    62     1.42760   130.04570  -179.87489
  115   114 S   HC   _H18    63     1.09845   120.29767   139.99696
  116   104 S   N    _N7_    60     1.43771   111.10129    66.85668
  117   116 S   H    _H17    61     1.01534   123.62897   -59.80944
  118   114 S   CM   _C26    64     1.35009   120.06881   -39.98798
  119   118 S   HC   _H19    65     1.08572   121.06580   180.00000
  120   118 S   HC   _H20    66     1.08466   121.32526    -0.03956
  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
  14   2   1   1  16  13   5   1  13   9   3  14   5   6   2   1
   1   8   3   3   2   1   1  10   4   3   4  11   7  16  12  14
   9   5   4  17   9   9   5   2   1   1   3   2   1   1  15   8
  11   5   4   4   1   2   1   1  12   5   2   1   1   5   4   3
   4  10   5   4   2   1   1  12   6  12  13   6   2   1   1   6
   3   5   3   1   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    59    61    38    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    50    59    61    63    38    42    43    45    46    39    40  
   35    36  
   36  
    0  
   41    44    50    51    59    61    63    38    42    56    46    47    48    49    39    40  
   42    43    45    52    39    40    41    50    59    61    63    68    97  
   40    41    42    59    61  
    0  
   44    50    51    59    61    56    57    58    60    46    47    48    49  
   43    45    52    53    54    55    59    61    63  
   45    52    61  
   50    51    59    61    56    57    58    60    62    84    46    47    48    49  
   52    53    54    55    61  
   47    48    49    50    56    59  
   48    49  
   49  
    0  
   51    59    61    63    56    57    58    60  
   59    61    56  
   53    54    55  
   54    55  
   55  
    0  
   57    58    60    62    64    70    84    85    65    59  
   58    60    62    84  
   60    62    84  
   61    63    68    97  
   62    64    70    84    85    86    71    65    66    67    75  
   63    68    69    79    89    97    81  
   64    70    84    85    86    71    72    73    74    65    66    67    75    76    77    78  
   68    69    79    80    89    97    98    90    81    82    83    94  
   70    84    85    86    87    88    71    72    73    74    65    66    67    75  
   66    67    75    76    77    78    70    71    84  
   67    75    76    77    78  
   75    76    77    78  
   69    79    80    89    97    98    90    91    92    93    81    82    83    94    95    96   101  
   79    80    89    97    90    81    82    83    94  
   84    85    86    87    88    71    72    73    74  
   72    73    74    84    86  
   73    74  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    89    97    98    99   100   104    90    91    92    93    81    82    83    94  
   89    97    98    90    91    92    93    81  
   82    83    94    95    96   101   102   103    89    90    97  
   83    94    95    96   101  
   94    95    96   101  
   85    86    87    88  
   86  
   87    88  
   88  
    0  
   97    98    99   100   104   105   106   116    90    91    92    93  
   91    92    93    97    98  
   92    93  
   93  
    0  
   95    96   101   102   103  
   96   101   102   103  
  101   102   103  
   98    99   100   104  
   99   100   104   105   106   107   112   116   117   108  
  100   104   105   106   116  
  104   105   106   116  
  102   103  
  103  
    0  
  105   106   107   112   113   116   117   114   108   109   110   111  
  106   107   112   116   117   108  
  107   112   113   116   117   114   115   118   108   109   110   111  
  112   113   116   117   114   115   118   119   120   108   109   110   111  
  109   110   111   112   114   116  
  110   111  
  111  
    0  
  113   116   117   114   115   118  
  116   117   114  
  115   118   119   120   116  
  118   119   120  
  117  
    0  
  119   120  
  120  
    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   0.547500   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   3.5500   0.0700  -0.146000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   51   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.008000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   85   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   88   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.317500   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   98   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  104   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  107   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  108   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  114   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  115   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  117   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  118   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  119   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  120   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   285.000  1.502
   33    38   317.000  1.510
   33    39   320.000  1.410
   37    41   469.000  1.424
   37    59   546.000  1.367
   41    44   546.000  1.367
   41    46   285.000  1.502
   44    50   427.000  1.381
   44    56   295.000  1.489
   50    51   434.000  1.010
   50    59   427.000  1.381
   59    61   375.000  1.423
   61    63   549.000  1.340
   61    38   380.000  1.444
   63    68   317.000  1.510
   63    97   405.000  1.380
   68    69   340.000  1.090
   68    79   268.000  1.529
   68    81   268.000  1.529
   79    80   340.000  1.090
   79    89   270.000  1.508
   79    90   268.000  1.529
   89    97   500.000  1.261
   89    98   270.000  1.508
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   104   268.000  1.529
  104   105   340.000  1.090
  104   106   317.000  1.510
  104   116   337.000  1.449
  106   107   549.000  1.340
  106   108   317.000  1.510
  107   112   410.000  1.444
  107   114   380.000  1.444
  112   113   570.000  1.229
  112   116   490.000  1.335
  116   117   434.000  1.010
  114   115   340.000  1.080
  114   118   549.000  1.340
  118   119   340.000  1.080
  118   120   340.000  1.080
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94   101   317.000  1.522
  101   102   656.000  1.250
  101   103   656.000  1.250
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    45   440.000  1.360
   45    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   295.000  1.489
   60    62   546.000  1.367
   60    84   427.000  1.381
   62    64   469.000  1.424
   62    65   285.000  1.502
   64    70   546.000  1.367
   64    71   285.000  1.502
   70    84   427.000  1.381
   70    86   335.000  1.450
   84    85   434.000  1.010
   86    87   570.000  1.229
   86    88   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    80.00000  109.48900
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    41    60.00000  130.00000
   33    37    59    60.00000  130.00000
   33    38    61    70.00000  124.00000
   33    38    42    70.00000  124.00000
   33    39    40    55.00000  108.50000
   37    41    44    70.00000  107.30000
   37    41    46    60.00000  130.00000
   37    59    50    70.00000  107.70000
   37    59    61    50.00000  133.16000
   41    44    50    70.00000  107.70000
   41    44    56    50.00000  133.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   44    50    51    35.00000  120.00000
   44    50    59    70.00000  109.80000
   44    56    57    45.00000  110.47400
   44    56    58    45.00000  110.47400
   44    56    60    70.00000  112.04700
   50    59    61    70.00000  120.38000
   59    37    41    70.00000  107.30000
   59    50    51    35.00000  120.00000
   59    61    63    55.00000  128.24000
   59    61    38    55.00000  128.24000
   61    63    68    70.00000  124.00000
   61    63    97    70.00000  120.83400
   61    38    42    70.00000  117.34000
   63    68    69    35.00000  109.50000
   63    68    79    70.00000  112.02700
   63    68    81    70.00000  112.02700
   63    97    89    75.00000  115.77100
   68    79    80    37.50000  110.70000
   68    79    89    70.00000  111.76100
   68    79    90    58.35000  112.70000
   68    81    82    37.50000  110.70000
   68    81    83    37.50000  110.70000
   68    81    94    58.35000  112.70000
   79    68    69    37.50000  110.70000
   79    89    97    65.00000  122.10100
   79    89    98    65.00000  114.98000
   79    90    91    37.50000  110.70000
   79    90    92    37.50000  110.70000
   79    90    93    37.50000  110.70000
   89    79    80    45.00000  109.49600
   89    98    99    45.00000  109.49600
   89    98   100    45.00000  109.49600
   89    98   104    70.00000  111.76100
   97    63    68    65.00000  119.96000
   98    89    97    65.00000  122.10100
   98   104   105    37.50000  110.70000
   98   104   106    70.00000  112.02700
   98   104   116    70.00000  110.72300
  100    98    99    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    37.50000  110.70000
  104   106   107    70.00000  124.00000
  104   106   108    65.00000  117.92700
  104   116   112    50.00000  121.90000
  104   116   117    38.00000  118.40000
  106   104   105    35.00000  109.50000
  106   107   112    70.00000  118.70000
  106   107   114    70.00000  123.01800
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    35.00000  109.50000
  107   112   113    80.00000  125.30000
  107   112   116    80.00000  111.56200
  107   114   115    35.00000  120.00000
  107   114   118    70.00000  123.01800
  112   116   117    35.00000  119.80000
  116   104   105    35.00000  109.50000
  116   104   106    75.00000  110.78400
  116   112   113    80.00000  122.90000
  114   107   112    70.00000  118.70000
  114   118   119    35.00000  120.00000
  114   118   120    35.00000  120.00000
  118   114   115    35.00000  120.00000
  120   118   119    35.00000  117.00000
  108   106   107    70.00000  124.00000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   90    79    80    37.50000  110.70000
   90    79    89    70.00000  111.76100
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   81    68    69    37.50000  110.70000
   81    68    79    58.35000  112.70000
   81    94    95    37.50000  110.70000
   81    94    96    37.50000  110.70000
   81    94   101    70.00000  109.69300
   83    81    82    33.00000  107.80000
   94    81    82    37.50000  110.70000
   94    81    83    37.50000  110.70000
   94   101   102    70.00000  117.00000
   94   101   103    70.00000  117.00000
   96    94    95    33.00000  107.80000
  101    94    95    35.00000  109.50000
  101    94    96    35.00000  109.50000
  103   101   102    80.00000  126.00000
   38    33    37    70.00000  112.99600
   38    61    63    70.00000  123.01800
   38    42    43    65.00000  137.10300
   38    42    45    80.00000  120.01400
   42    45    52    90.00000  111.18400
   45    42    43    65.00000  121.00000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    44    50    65.00000  122.56900
   56    60    62    50.00000  133.50000
   56    60    84    65.00000  122.56900
   58    56    57    33.00000  107.80000
   60    56    57    45.00000  110.47400
   60    56    58    45.00000  110.47400
   60    62    64    70.00000  107.30000
   60    62    65    60.00000  130.00000
   60    84    70    70.00000  109.80000
   60    84    85    35.00000  120.00000
   62    64    70    70.00000  107.30000
   62    64    71    60.00000  130.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    75    70.00000  112.17500
   64    70    84    70.00000  107.70000
   64    70    86    55.00000  130.80000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   70    84    85    35.00000  120.00000
   70    86    87    80.00000  122.40000
   70    86    88    35.00000  115.00000
   84    60    62    70.00000  107.70000
   86    70    84    70.00000  119.02500
   88    86    87    35.00000  123.00000
   71    64    70    60.00000  130.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    62    64    60.00000  130.00000
   65    75    76    37.50000  110.70000
   65    75    77    37.50000  110.70000
   65    75    78    37.50000  110.70000
   67    65    66    33.00000  107.80000
   75    65    66    37.50000  110.70000
   75    65    67    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   46    41    44    60.00000  130.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  112.51600
   39    33    38    90.00000  110.39200
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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   56    44    50    51   2.00000 -1.0 2.0
   56    44    50    59   3.62500 -1.0 2.0
   56    60    62    64   3.62500 -1.0 2.0
   56    60    62    65   3.62500 -1.0 2.0
   56    60    84    70   3.62500 -1.0 2.0
   56    60    84    85   2.00000 -1.0 2.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    84   0.00000  1.0 1.0
   58    56    60    62   0.00000  1.0 1.0
   58    56    60    84   0.00000  1.0 1.0
   60    62   -64    70   3.62500 -1.0 2.0
   60    62    64    71   3.62500 -1.0 2.0
   60    62    65    66   0.00000  1.0 1.0
   60    62    65    67   0.00000  1.0 1.0
   60    62    65    75   0.04150 -1.0 2.0
   62    60   -84    70   3.62500 -1.0 2.0
   62    60    84    85   2.00000 -1.0 2.0
   62    64   -70    84   3.62500 -1.0 2.0
   62    64    70    86   3.62500 -1.0 2.0
   62    64    71    72   0.00000  1.0 1.0
   62    64    71    73   0.00000  1.0 1.0
   62    64    71    74   0.00000  1.0 1.0
   62    65    75    76   0.43200  1.0 3.0
   62    65    75    77   0.43200  1.0 3.0
   62    65    75    78   0.43200  1.0 3.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    67   0.00000  1.0 1.0
   64    62    65    75   0.04150 -1.0 2.0
   64    70   -84    60   3.62500 -1.0 2.0
   64    70    84    85   2.00000 -1.0 2.0
   64    70    86    87   1.05000 -1.0 2.0
   64    70    86    88   0.56600 -1.0 2.0
   70    64    71    72   0.00000  1.0 1.0
   70    64    71    73   0.00000  1.0 1.0
   70    64    71    74   0.00000  1.0 1.0
   84    60   -62    64   3.62500 -1.0 2.0
   84    60    62    65   3.62500 -1.0 2.0
   84    70    86    87   1.85000 -1.0 2.0
   84    70    86    88   0.56600 -1.0 2.0
   86    70    84    60   3.62500 -1.0 2.0
   86    70    84    85   2.00000 -1.0 2.0
   71    64    70    84   3.62500 -1.0 2.0
   71    64    70    86   3.62500 -1.0 2.0
   65    62    64    70   3.62500 -1.0 2.0
   65    62    64    71   3.62500 -1.0 2.0
   66    65    75    76   0.15000  1.0 3.0
   66    65    75    77   0.15000  1.0 3.0
   66    65    75    78   0.15000  1.0 3.0
   67    65    75    76   0.15000  1.0 3.0
   67    65    75    77   0.15000  1.0 3.0
   67    65    75    78   0.15000  1.0 3.0
   46    41    44    50   3.62500 -1.0 2.0
   46    41    44    56   3.62500 -1.0 2.0
   39    33    37    41   0.14300 -1.0 2.0
   39    33    37    41   0.00300  1.0 3.0
   39    33    37    59   0.14300 -1.0 2.0
   39    33    37    59   0.00300  1.0 3.0
   39    33    38    61  -0.17300  1.0 1.0
   39    33    38    61   0.35150 -1.0 2.0
   39    33    38    61   0.31550  1.0 3.0
   39    33    38    42   0.67800  1.0 1.0
   39    33    38    42   0.47050 -1.0 2.0
   39    33    38    42  -0.62500  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
   41    59    37    33   4.00000 -1.0 2.0
   44    46    41    37   4.00000 -1.0 2.0
   56    50    44    41   4.00000 -1.0 2.0
   51    44    50    59   1.00000 -1.0 2.0
   50    61    59    37   4.00000 -1.0 2.0
   59    38    61    63   1.10000 -1.0 2.0
   68    97    63    61   1.10000 -1.0 2.0
   79    98    89    97  10.50000 -1.0 2.0
  104   108   106   107   1.10000 -1.0 2.0
  112   114   107   106   1.10000 -1.0 2.0
  107   116   112   113  10.50000 -1.0 2.0
  117   112   116   104   1.00000 -1.0 2.0
  107   115   114   118  15.00000 -1.0 2.0
  119   120   118   114  15.00000 -1.0 2.0
  102    94   101   103  10.50000 -1.0 2.0
   33    61    38    42   1.10000 -1.0 2.0
   43    45    42    38   1.10000 -1.0 2.0
   62    84    60    56   4.00000 -1.0 2.0
   64    65    62    60   4.00000 -1.0 2.0
   70    71    64    62   4.00000 -1.0 2.0
   86    84    70    64   4.00000 -1.0 2.0
   85    60    84    70   1.00000 -1.0 2.0
   70    88    86    87  10.50000 -1.0 2.0
END
