* LIGAND DATABASE FILE (OPLS2005)
*
001     119   122    223    340     642
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02132    88.52020   -71.52053
    3     1 S   H    _H1_     3     1.02029    92.02124    37.12809
    4     1 S   H    _H2_     4     1.02173    32.95316   159.49738
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.85215    97.19627  -178.15708
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C21    37     1.54350   108.10910    60.02955
   38    37 S   HC   _H17    38     1.09564   113.10152    26.11496
   39    33 S   CT   _C24   113     1.52954   106.99972  -175.64630
   40    39 S   HC   _H22   114     1.09235   109.01736    61.27376
   41    39 S   HC   _H23   115     1.09279   108.99620   178.69539
   42    37 S   CD   _C22    39     1.49421    98.01600   -90.14820
   43    37 S   CT   _C23   109     1.52426   116.22636   153.58751
   44    43 S   HC   _H19   110     1.08937   109.96423    50.62900
   45    43 S   HC   _H20   111     1.08954   109.94900   -69.44184
   46    43 S   HC   _H21   112     1.08943   109.94847   170.60801
   47    39 S   CT   _C25   116     1.49300   111.59272   -60.04672
   48    47 S   HC   _H24   117     1.09627   109.48048   -59.14410
   49    47 S   HC   _H25   118     1.09560   110.95265  -178.29866
   50    47 S   HC   _H26   119     1.09458   110.93279    60.10196
   51    42 S   NI   _N7_    40     1.29476   119.40999   -19.52425
   52    42 S   OH   _O34   107     1.33811   116.93858   160.37430
   53    52 S   HO   _H18   108     0.97694   112.16138  -179.97202
   54    33 S   CT   _C19    41     1.55098   113.47192   -51.69261
   55    54 S   HC   _H4_    42     1.09899   109.53388  -162.41258
   56    54 S   CT   _C18    43     1.52310   117.73797   -39.63063
   57    56 S   HC   _H15    44     1.09662   109.66892    54.05392
   58    56 S   HC   _H16    45     1.09650   109.68177   -62.02642
   59    56 S   C5A  _C17    46     1.50580   111.78401   176.00693
   60    59 S   C5BC _C16    47     1.37639   131.10298  -120.03654
   61    60 S   C5BC _C15    48     1.41668   107.37252  -179.98022
   62    60 S   CT   _C26   103     1.47776   126.20830     0.03426
   63    62 S   HC   _H27   104     1.10164   111.07764   -90.00257
   64    62 S   HC   _H28   105     1.10311   111.94722    30.46467
   65    62 S   HC   _H29   106     1.10268   111.95688   149.43902
   66    61 S   C5A  _C14    49     1.37687   107.36739     0.02798
   67    61 S   CT   _C27    94     1.47904   126.30311   179.98022
   68    67 S   HC   _H30    95     1.10524   110.65714  -134.97241
   69    67 S   HC   _H31    96     1.10566   110.65278   -19.46293
   70    59 S   NA   _N6_    50     1.37106   121.02036    60.02629
   71    70 S   H    _H14    51     1.01132   124.92365    -0.09065
   72    66 S   CM   _C13    52     1.40502   134.22975   179.98022
   73    72 S   HC   _H13    53     1.10073   119.31941    89.97947
   74    67 S   CT   _C28    97     1.53613   113.06898   102.77265
   75    74 S   HC   _H32    98     1.09778   109.27639    60.04280
   76    74 S   HC   _H33    99     1.09688   109.30315   -56.55119
   77    72 S   CM   _C12    54     1.35450   125.48754   -88.22442
   78    74 S   CO3  _C29   100     1.53221   116.01664  -178.30119
   79    78 S   O2Z  _O36   101     1.26559   114.07477   177.36196
   80    78 S   O2Z  _O35   102     1.26188   116.69358    -2.65432
   81    77 S   CM   _C30    55     1.45222   127.36098    -0.04846
   82    81 S   CM   _C31    56     1.33979   109.75624   179.93147
   83    81 S   CT   _C33    85     1.48999   122.72976    -0.18557
   84    83 S   HC   _H37    86     1.09653   109.26827    30.07637
   85    83 S   HC   _H38    87     1.09637   108.32266   146.23014
   86    82 S   CD   _C11    57     1.47239   101.35954    -0.01978
   87    82 S   CT   _C32    81     1.47776   133.33570   179.69036
   88    87 S   HC   _H34    82     1.09571   110.59143    89.92796
   89    87 S   HC   _H35    83     1.09522   110.60150   -30.24704
   90    87 S   HC   _H36    84     1.09528   110.58544  -149.88794
   91    83 S   CT   _C34    88     1.52676   112.91327   -92.97508
   92    91 S   HC   _H39    89     1.09788   108.32527   -59.94332
   93    91 S   HC   _H40    90     1.09843   109.64711    56.10481
   94    77 S   NI   _N5_    58     1.37541   123.89780  -179.88986
   95    86 S   CT   _C10    59     1.49480   121.83850   179.51624
   96    95 S   HC   _H11    60     1.09311   108.36571  -150.02007
   97    95 S   HC   _H12    61     1.09258   108.00278   -32.47227
   98    91 S   CO3  _C35    91     1.53409   116.95053   179.97202
   99    98 S   O2Z  _O38    92     1.26516   114.07431  -178.88864
  100    98 S   O2Z  _O37    93     1.26082   116.54106     1.57110
  101    95 S   CT   _C8_    62     1.51385   110.39943    88.58755
  102   101 S   HC   _H3_    63     1.09522   110.98842   -53.41923
  103   101 S   CM   _C7_    64     1.50464   113.98971   179.96574
  104   103 S   CM   _C6_    65     1.34294   112.78829  -118.20660
  105   103 S   CT   _C36    77     1.49172   119.73896    62.98513
  106   105 S   HC   _H41    78     1.09011   109.97257   -91.40510
  107   105 S   HC   _H42    79     1.09072   109.93189   148.38111
  108   105 S   HC   _H43    80     1.09118   109.86392    28.84941
  109   104 S   C    _C9_    66     1.48095   106.67690    -0.61038
  110   109 S   O    _O33    67     1.21947   125.05332  -179.53019
  111   104 S   CT   _C5_    70     1.48192   131.74928  -179.96044
  112   111 S   HC   _H8_    71     1.09732   108.99791  -148.56278
  113   111 S   HC   _H9_    72     1.09730   108.67445   -31.08792
  114   101 S   N    _N4_    68     1.43917   111.15036    66.86079
  115   114 S   H    _H10    69     1.01570   123.60408   -59.85656
  116   111 S   CT   _C4_    73     1.51777   110.87991    90.02141
  117   116 S   HC   _H5_    74     1.09490   110.80989   -59.23236
  118   116 S   HC   _H6_    75     1.09514   110.85807  -179.54458
  119   116 S   HC   _H7_    76     1.09567   110.89927    60.98713
  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
  22   2   1   1  16   9  12   6   5  10   6   2   1   1   4   2
   1   1   8   2   1   7   4   9   4   3  11  13  17   6   2   1
   1  11  10   5   4   4   1   7   3   5   4   3  10   2   1   1
  15  14  11   5   4  12   5   2   1   1   5   4   3   4  10   5
   4   2   1   1  12   6  13  15   6   2   1   1   7   3   7   5
   4   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    51    54    55    56    43    39    40    41    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    51    54    55    56    57    58    59    52    43    44    45    46    39    40    41    47    48    49    50  
   35    36  
   36  
    0  
   38    42    51    54    55    56    52    53    43    44    45    46    39    40    41    47  
   42    51    54    52    43    44    45    46    39  
   40    41    47    48    49    50    42    43    51    54    55    56  
   41    47    48    49    50    54  
   47    48    49    50    54  
   51    54    55    56    52    53    43    44    45    46  
   44    45    46    51    52    54  
   45    46  
   46  
    0  
   48    49    50    54  
   49    50  
   50  
    0  
   54    55    56    57    58    59    52    53  
   53    54  
    0  
   55    56    57    58    59    60    70  
   56    57    58    59  
   57    58    59    60    61    66    70    71    62  
   58    59    60    70  
   59    60    70  
   60    61    66    70    71    72    67    62    63    64    65  
   61    66    70    71    72    67    68    69    74    62    63    64    65  
   66    70    71    72    73    77    67    68    69    74    75    76    78    62    63    64    65  
   63    64    65    66    67    70  
   64    65  
   65  
    0  
   70    71    72    73    77    81    94    67    68    69    74  
   68    69    74    75    76    78    79    80    70    72  
   69    74    75    76    78  
   74    75    76    78  
   71    72    73    77  
   72  
   73    77    81    82    86    94    83  
   77    81    94  
   75    76    78    79    80  
   76    78    79    80  
   78    79    80  
   81    82    86    94    95    87    83    84    85    91  
   79    80  
   80  
    0  
   82    86    94    95    87    88    89    90    83    84    85    91    92    93    98  
   86    94    95    96    97   101    87    88    89    90    83    84    85    91  
   84    85    91    92    93    98    99   100    86    87    94  
   85    91    92    93    98  
   91    92    93    98  
   94    95    96    97   101   102   103   114    87    88    89    90  
   88    89    90    94    95  
   89    90  
   90  
    0  
   92    93    98    99   100  
   93    98    99   100  
   98    99   100  
   95    96    97   101  
   96    97   101   102   103   104   109   114   115   105  
   97   101   102   103   114  
  101   102   103   114  
   99   100  
  100  
    0  
  102   103   104   109   110   114   115   111   105   106   107   108  
  103   104   109   114   115   105  
  104   109   110   114   115   111   112   113   116   105   106   107   108  
  109   110   114   115   111   112   113   116   117   118   119   105   106   107   108  
  106   107   108   109   111   114  
  107   108  
  108  
    0  
  110   114   115   111   112   113   116  
  114   115   111  
  112   113   116   117   118   119   114  
  113   116   117   118   119  
  116   117   118   119  
  115  
    0  
  117   118   119  
  118   119  
  119  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.438600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   52   3.1200   0.1700  -0.503000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.160200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   71   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   95   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  101   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  103   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
  104   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  110   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  111   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  115   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   270.000  1.508
   37    43   268.000  1.529
   42    51   500.000  1.261
   42    52   440.000  1.374
   51    54   315.000  1.435
   54    55   340.000  1.090
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   295.000  1.489
   59    60   546.000  1.367
   59    70   427.000  1.381
   60    61   469.000  1.424
   60    62   285.000  1.502
   61    66   546.000  1.367
   61    67   285.000  1.502
   66    70   427.000  1.381
   66    72   375.000  1.423
   70    71   434.000  1.010
   72    73   340.000  1.080
   72    77   549.000  1.340
   77    81   380.000  1.444
   77    94   405.000  1.380
   81    82   549.000  1.340
   81    83   317.000  1.510
   82    86   320.000  1.464
   82    87   317.000  1.510
   86    94   500.000  1.261
   86    95   270.000  1.508
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   101   268.000  1.529
  101   102   340.000  1.090
  101   103   317.000  1.510
  101   114   337.000  1.449
  103   104   549.000  1.340
  103   105   317.000  1.510
  104   109   410.000  1.444
  104   111   317.000  1.510
  109   110   570.000  1.229
  109   114   490.000  1.335
  114   115   434.000  1.010
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   116   268.000  1.529
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    98   317.000  1.522
   98    99   656.000  1.250
   98   100   656.000  1.250
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   52    53   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    70.00000  111.76100
   33    37    43    58.35000  112.70000
   33    54    51    80.00000  110.18800
   33    54    55    37.50000  110.70000
   33    54    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    47    58.35000  112.70000
   37    42    51    65.00000  122.10100
   37    42    52    85.00000  110.80600
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   42    37    38    45.00000  109.49600
   42    51    54    70.00000  113.48600
   42    52    53    70.00000  105.55000
   51    54    55    50.00000  110.29200
   51    54    56    80.00000  110.18800
   54    33    37    58.35000  112.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    70.00000  113.44400
   56    54    55    37.50000  110.70000
   56    59    60    50.00000  133.50000
   56    59    70    65.00000  122.56900
   58    56    57    33.00000  107.80000
   59    56    57    45.00000  110.47400
   59    56    58    45.00000  110.47400
   59    60    61    70.00000  107.30000
   59    60    62    60.00000  130.00000
   59    70    66    70.00000  109.80000
   59    70    71    35.00000  120.00000
   60    61    66    70.00000  107.30000
   60    61    67    60.00000  130.00000
   60    62    63    35.00000  109.50000
   60    62    64    35.00000  109.50000
   60    62    65    35.00000  109.50000
   61    66    70    70.00000  107.70000
   61    66    72    50.00000  133.16000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    74    70.00000  112.17500
   66    70    71    35.00000  120.00000
   66    72    73    40.00000  117.26300
   66    72    77    55.00000  128.24000
   70    59    60    70.00000  107.70000
   72    66    70    70.00000  120.38000
   72    77    81    70.00000  123.01800
   72    77    94    70.00000  120.83400
   77    72    73    35.00000  120.00000
   77    81    82    70.00000  123.01800
   77    81    83    70.00000  124.00000
   77    94    86    75.00000  115.77100
   81    82    86    60.00000  120.31500
   81    82    87    70.00000  124.00000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    91    70.00000  112.02700
   82    86    94    70.00000  121.86000
   82    86    95    65.00000  117.24000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   86    95    96    45.00000  109.49600
   86    95    97    45.00000  109.49600
   86    95   101    70.00000  111.76100
   94    77    81    70.00000  120.83400
   95    86    94    65.00000  122.10100
   95   101   102    37.50000  110.70000
   95   101   103    70.00000  112.02700
   95   101   114    70.00000  110.72300
   97    95    96    33.00000  107.80000
  101    95    96    37.50000  110.70000
  101    95    97    37.50000  110.70000
  101   103   104    70.00000  124.00000
  101   103   105    65.00000  117.92700
  101   114   109    50.00000  121.90000
  101   114   115    38.00000  118.40000
  103   101   102    35.00000  109.50000
  103   104   109    70.00000  118.70000
  103   104   111    70.00000  124.00000
  103   105   106    35.00000  109.50000
  103   105   107    35.00000  109.50000
  103   105   108    35.00000  109.50000
  104   109   110    80.00000  125.30000
  104   109   114    80.00000  111.56200
  104   111   112    35.00000  109.50000
  104   111   113    35.00000  109.50000
  104   111   116    70.00000  112.02700
  109   114   115    35.00000  119.80000
  114   101   102    35.00000  109.50000
  114   101   103    75.00000  110.78400
  114   109   110    80.00000  122.90000
  111   104   109    70.00000  119.70000
  111   116   117    37.50000  110.70000
  111   116   118    37.50000  110.70000
  111   116   119    37.50000  110.70000
  113   111   112    33.00000  107.80000
  116   111   112    37.50000  110.70000
  116   111   113    37.50000  110.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  105   103   104    70.00000  124.00000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   87    82    86    65.00000  117.22000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   83    81    82    70.00000  124.00000
   83    91    92    37.50000  110.70000
   83    91    93    37.50000  110.70000
   83    91    98    70.00000  109.69300
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    98    99    70.00000  117.00000
   91    98   100    70.00000  117.00000
   93    91    92    33.00000  107.80000
   98    91    92    35.00000  109.50000
   98    91    93    35.00000  109.50000
  100    98    99    80.00000  126.00000
   67    61    66    60.00000  130.00000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    78    70.00000  109.69300
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    78    79    70.00000  117.00000
   74    78    80    70.00000  117.00000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   80    78    79    80.00000  126.00000
   62    60    61    60.00000  130.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   52    42    51    90.00000  118.59000
   43    37    38    37.50000  110.70000
   43    37    42    70.00000  111.76100
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    50    37.50000  110.70000
   41    39    40    33.00000  107.80000
   47    39    40    37.50000  110.70000
   47    39    41    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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
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  105   103   104   109   7.00000 -1.0 2.0
  105   103   104   111   7.00000 -1.0 2.0
   87    82    86    94   7.00000 -1.0 2.0
   87    82    86    95   7.00000 -1.0 2.0
   83    81    82    86   7.00000 -1.0 2.0
   83    81    82    87   7.00000 -1.0 2.0
   83    91    98    99   0.41150 -1.0 2.0
   83    91    98   100   0.41150 -1.0 2.0
   84    83    91    92   0.15000  1.0 3.0
   84    83    91    93   0.15000  1.0 3.0
   84    83    91    98  -0.11250  1.0 3.0
   85    83    91    92   0.15000  1.0 3.0
   85    83    91    93   0.15000  1.0 3.0
   85    83    91    98  -0.11250  1.0 3.0
   92    91    98    99   0.00000  1.0 1.0
   92    91    98   100   0.00000  1.0 1.0
   93    91    98    99   0.00000  1.0 1.0
   93    91    98   100   0.00000  1.0 1.0
   67    61    66    70   3.62500 -1.0 2.0
   67    61    66    72   3.62500 -1.0 2.0
   67    74    78    79   0.41150 -1.0 2.0
   67    74    78    80   0.41150 -1.0 2.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    78  -0.11250  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    78  -0.11250  1.0 3.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   62    60    61    66   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   52    42    51    54   6.00000 -1.0 2.0
   43    37    42    51   0.00000  1.0 1.0
   43    37    42    52   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.34400  1.0 1.0
   39    33    37    42   0.09450 -1.0 2.0
   39    33    37    42   0.11100  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    54    51   0.56750  1.0 1.0
   39    33    54    51  -0.07550 -1.0 2.0
   39    33    54    51   0.20000  1.0 3.0
   39    33    54    55   0.15000  1.0 3.0
   39    33    54    56   0.56750  1.0 1.0
   39    33    54    56  -0.07550 -1.0 2.0
   39    33    54    56   0.20000  1.0 3.0
   40    39    47    48   0.15000  1.0 3.0
   40    39    47    49   0.15000  1.0 3.0
   40    39    47    50   0.15000  1.0 3.0
   41    39    47    48   0.15000  1.0 3.0
   41    39    47    49   0.15000  1.0 3.0
   41    39    47    50   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    52    42    51  10.50000 -1.0 2.0
   60    70    59    56   4.00000 -1.0 2.0
   61    62    60    59   4.00000 -1.0 2.0
   66    67    61    60   4.00000 -1.0 2.0
   72    70    66    61   4.00000 -1.0 2.0
   71    59    70    66   1.00000 -1.0 2.0
   66    73    72    77   1.10000 -1.0 2.0
   81    94    77    72   1.10000 -1.0 2.0
   77    83    81    82   1.10000 -1.0 2.0
   86    87    82    81   1.10000 -1.0 2.0
   82    95    86    94  10.50000 -1.0 2.0
  101   105   103   104   1.10000 -1.0 2.0
  109   111   104   103   1.10000 -1.0 2.0
  104   114   109   110  10.50000 -1.0 2.0
  115   109   114   101   1.00000 -1.0 2.0
   99    91    98   100  10.50000 -1.0 2.0
   79    74    78    80  10.50000 -1.0 2.0
END
