* LIGAND DATABASE FILE (OPLS2005)
*
001     115   118    231    374     701
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091    79.23181   -84.81735
    3     1 S   H    _H1_     3     1.02058    99.23829    22.56796
    4     1 S   H    _H2_     4     1.02075    36.54933   131.61844
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C32    36     1.86537    96.77508   159.99563
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CT   _C28    37     1.56474   104.54555    59.98534
   38    37 S   HC   _H75    38     1.09597   109.16977    38.46101
   39    37 S   HC   _H76    39     1.09801   110.02120   -76.17109
   40    33 S   CT   _C30    98     1.58267   110.12792   -59.94897
   41    40 S   HC   _H78    99     1.09841   107.34234    85.60824
   42    33 S   CT   _C31   108     1.56933   106.52567   179.37380
   43    42 S   HC   _H79   109     1.09725   109.32573  -174.00639
   44    37 S   CT   _C27    40     1.53839   115.90343   161.05571
   45    44 S   HC   _H73    41     1.09547   110.17028   -60.92435
   46    44 S   HC   _H74    42     1.09394   109.39753    56.41853
   47    40 S   CT   _C24   100     1.53901   114.82239  -157.22584
   48    47 S   HC   _H64   101     1.09386   112.13736    61.88484
   49    47 S   HC   _H65   102     1.09327   111.86975   -60.27807
   50    47 S   HC   _H66   103     1.09586   110.37054  -178.64535
   51    40 S   CT   _C25   104     1.53896   114.62243   -31.12422
   52    51 S   HC   _H67   105     1.09341   111.98045   -62.16723
   53    51 S   HC   _H68   106     1.09405   112.23964   175.45046
   54    51 S   HC   _H69   107     1.09629   110.20341    56.20210
   55    42 S   CT   _C26   110     1.53075   116.30331   -52.37504
   56    55 S   HC   _H70   111     1.09533   111.61747    57.31950
   57    55 S   HC   _H71   112     1.09245   112.53049   -65.80706
   58    55 S   HC   _H72   113     1.09655   109.80363   174.15108
   59    42 S   OH   _O33   114     1.43082   110.01339    70.25535
   60    59 S   HO   _H81   115     0.96733   106.29022   172.41204
   61    44 S   CT   _C29    43     1.54526   113.09923   176.95895
   62    61 S   HC   _H77    44     1.09951   108.48166   -56.61470
   63    61 S   CT   _C17    45     1.52234   112.91395  -177.15710
   64    63 S   HC   _H53    46     1.09955   107.09350   -77.83655
   65    61 S   CT   _C23    94     1.53370   109.24490    60.28031
   66    65 S   HC   _H61    95     1.09484   110.75495    62.48893
   67    65 S   HC   _H62    96     1.09609   111.13478  -177.43631
   68    65 S   HC   _H63    97     1.09470   111.14808   -57.09983
   69    63 S   CT   _C10    47     1.54646   112.86587    40.41286
   70    69 S   HC   _H42    48     1.09597   112.15322    28.93742
   71    69 S   HC   _H43    49     1.09567   110.36885   -90.61707
   72    69 S   CT   _C8_    50     1.54047   106.29481   148.96011
   73    72 S   HC   _H38    51     1.09481   111.30737   128.34070
   74    72 S   HC   _H39    52     1.09570   110.40181  -112.30695
   75    72 S   CT   _C16    53     1.52494   104.08153     7.49894
   76    75 S   HC   _H52    54     1.10270   105.91794    79.21736
   77    75 S   CT   _C14    55     1.53196   118.81261  -161.21539
   78    77 S   HC   _H50    56     1.09538   109.31176    60.11736
   79    77 S   CT   _C6_    57     1.53609   110.72317   -58.26759
   80    79 S   HC   _H34    58     1.09687   109.02123    74.24734
   81    79 S   HC   _H35    59     1.09761   110.67697   -42.87259
   82    77 S   CT   _C15    75     1.55652   109.52512  -179.85735
   83    82 S   HC   _H51    76     1.10267   105.76120    65.71766
   84    79 S   CM   _C4_    60     1.49502   113.63832  -164.39982
   85    84 S   HC   _H33    61     1.08800   115.72587  -166.36766
   86    82 S   CT   _C9_    77     1.55411   112.73481   -48.66586
   87    86 S   HC   _H40    78     1.09368   110.61939   -74.66872
   88    86 S   HC   _H41    79     1.09568   109.69271   168.54004
   89    84 S   CM   _C5_    62     1.34393   124.72335    13.54057
   90    86 S   CT   _C13    80     1.53831   113.90477    47.49374
   91    90 S   HC   _H48    81     1.09800   108.58880    69.05251
   92    90 S   HC   _H49    82     1.09625   109.58745  -175.22295
   93    89 S   CT   _C7_    63     1.51135   119.92986  -178.85482
   94    93 S   HC   _H36    64     1.09821   111.58091    -7.30401
   95    93 S   HC   _H37    65     1.09767   109.65714   108.38995
   96    63 S   CT   _C20    83     1.54881   116.57652   160.29731
   97    93 S   CT   _C18    66     1.52615   111.84248  -129.32815
   98    97 S   HC   _H54    67     1.09674   109.72156    68.51939
   99    96 S   CT   _C22    84     1.54909   111.12075   -46.30280
  100    99 S   HC   _H58    85     1.08167   108.75401   -51.83156
  101    99 S   HC   _H59    86     1.08097   108.70919  -171.89913
  102    99 S   HC   _H60    87     1.08176   108.70506    68.12156
  103    97 S   CT   _C11    68     1.52463   111.19599   -53.46521
  104   103 S   HC   _H44    69     1.09683   110.19646   -66.80081
  105   103 S   HC   _H45    70     1.09626   109.61544   177.70936
  106    97 S   OH   _O30    92     1.42413   108.51865  -173.92104
  107   106 S   HO   _H80    93     0.97007   106.56016   180.00000
  108   103 S   CT   _C12    71     1.52872   111.22389    56.25743
  109   108 S   HC   _H46    72     1.09794   107.76084    67.06840
  110   108 S   HC   _H47    73     1.09648   108.16607  -178.34282
  111    89 S   CT   _C19    74     1.53530   122.93099     1.41872
  112   111 S   CT   _C21    88     1.54798   107.98366  -107.85530
  113   112 S   HC   _H55    89     1.08222   108.80275   179.98022
  114   112 S   HC   _H56    90     1.08135   108.82066    59.98942
  115   112 S   HC   _H57    91     1.08202   108.75953   -59.99228
  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
  25   2   1   1  17   7   6  14   9  10   6  12   5   4   7   3
   2   1   3   2   1   1   5   3   2   1   1   1  15   8  23   9
   5   2   1   1  11   6   5  11   5   4  19   7  18   9  11   5
   4  20   8   9   3  11   6   5  15   8   3   2  12   6   5   4
  10   6   3   2   1   1   9   6   5   2   1   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    47    51    42    43    55    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    61    40    41    47    48    49    50    51    52    53    54    42    43    55    56    57    58    59    60  
   35    36  
   36  
    0  
   38    39    44    45    46    61    62    63    65    40    41    47    51    42    43    55    59  
   39    44    45    46    61    40    42  
   44    45    46    61    40    42  
   41    47    48    49    50    51    52    53    54    42    43    55    59    44  
   47    48    49    50    51    52    53    54    42  
   43    55    56    57    58    59    60    44    47    51  
   55    56    57    58    59    60  
   45    46    61    62    63    64    69    96    65    66    67    68  
   46    61    62    63    65  
   61    62    63    65  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58    59  
   58    59  
   59  
   60  
    0  
   62    63    64    69    70    71    72    75    90    96    99    65    66    67    68  
   63    64    69    96    65    66    67    68  
   64    69    70    71    72    73    74    75    76    77    86    90    91    92    96    99   100   101   102    65    66    67    68  
   69    70    71    72    75    90    96    99    65  
   66    67    68    69    96  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    90    96    99  
   71    72    73    74    75    96  
   72    73    74    75    96  
   73    74    75    76    77    78    79    82    90    96    99  
   74    75    76    77    96  
   75    76    77    96  
   76    77    78    79    80    81    84   111    82    83    86    90    91    92    96    99   100   101   102  
   77    78    79    82    90    96    99  
   78    79    80    81    84    85    89   108   111    82    83    86    87    88    90    96    99   112  
   79    80    81    84   111    82    83    86    96  
   80    81    84    85    89    93   111    82    83    86    96  
   81    84    85    89    82  
   84    85    89    82  
   83    86    87    88    90    91    92    96   112   113   114   115    84    89    93   103   108   109   110   111  
   86    87    88    90   112    89   108   111  
   85    89    93    94    95    97   108   111   112  
   89    93   111  
   87    88    90    91    92    96    99   112    89   108   111  
   88    90    91    92    96   111  
   90    91    92    96   111  
   93    94    95    97    98   103   108   109   110   111   112   113   114   115   106  
   91    92    96    99   100   101   102   111  
   92    96    99  
   96    99  
   94    95    97    98   103   104   105   108   111   112   106   107  
   95    97    98   103   111   106  
   97    98   103   111   106  
   99   100   101   102  
   98   103   104   105   108   109   110   111   106   107  
  103   104   105   108   106   107  
  100   101   102  
  101   102  
  102  
    0  
  104   105   108   109   110   111   112   106   107  
  105   108   109   110   111   106  
  108   109   110   111   106  
  107   108  
    0  
  109   110   111   112   113   114   115  
  110   111   112  
  111   112  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    96   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    96   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   317.000  1.510
   84    85   340.000  1.080
   84    89   549.000  1.340
   89    93   317.000  1.510
   89   111   317.000  1.510
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    97   268.000  1.529
   97    98   340.000  1.090
   97   103   268.000  1.529
   97   106   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111    82   268.000  1.529
  111   112   268.000  1.529
   82    83   340.000  1.090
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    96   268.000  1.529
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  106   107   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    47   268.000  1.529
   40    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   42    43   340.000  1.090
   42    55   268.000  1.529
   42    59   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    47    58.35000  112.70000
   33    40    51    58.35000  112.70000
   33    42    43    37.50000  110.70000
   33    42    55    58.35000  112.70000
   33    42    59    50.00000  109.50000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    61    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    61    62    37.50000  110.70000
   44    61    63    58.35000  112.70000
   44    61    65    58.35000  112.70000
   46    44    45    33.00000  107.80000
   61    44    45    37.50000  110.70000
   61    44    46    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    69    58.35000  112.70000
   61    63    96    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    58.35000  112.70000
   63    96    75    58.35000  112.70000
   63    96    90    58.35000  112.70000
   63    96    99    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    58.35000  112.70000
   72    75    96    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    37.50000  110.70000
   75    77    79    58.35000  112.70000
   75    77    82    58.35000  112.70000
   75    96    90    58.35000  112.70000
   75    96    99    58.35000  112.70000
   77    75    76    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    84    70.00000  112.02700
   77    82   111    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    86    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    84    85    35.00000  117.00000
   79    84    89    70.00000  124.00000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    89    93    70.00000  124.00000
   84    89   111    70.00000  124.00000
   89    84    85    35.00000  120.00000
   89    93    94    35.00000  109.50000
   89    93    95    35.00000  109.50000
   89    93    97    70.00000  112.02700
   89   111   108    70.00000  112.02700
   89   111    82    70.00000  112.02700
   89   111   112    70.00000  112.02700
   93    97    98    37.50000  110.70000
   93    97   103    58.35000  112.70000
   93    97   106    50.00000  109.50000
   95    93    94    33.00000  107.80000
   97    93    94    37.50000  110.70000
   97    93    95    37.50000  110.70000
   97   103   104    37.50000  110.70000
   97   103   105    37.50000  110.70000
   97   103   108    58.35000  112.70000
   97   106   107    55.00000  108.50000
  103    97    98    37.50000  110.70000
  103   108   109    37.50000  110.70000
  103   108   110    37.50000  110.70000
  103   108   111    58.35000  112.70000
  105   103   104    33.00000  107.80000
  108   103   104    37.50000  110.70000
  108   103   105    37.50000  110.70000
  108   111    82    58.35000  112.70000
  108   111   112    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111    89    93    65.00000  117.92700
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  111    82    83    37.50000  110.70000
  111    82    86    58.35000  112.70000
  111   112   113    37.50000  110.70000
  111   112   114    37.50000  110.70000
  111   112   115    37.50000  110.70000
   82    77    78    37.50000  110.70000
   82    77    79    58.35000  112.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    90    58.35000  112.70000
   86    82    83    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    96    58.35000  112.70000
   88    86    87    33.00000  107.80000
   90    86    87    37.50000  110.70000
   90    86    88    37.50000  110.70000
   90    96    99    58.35000  112.70000
   92    90    91    33.00000  107.80000
   96    63    64    37.50000  110.70000
   96    63    69    58.35000  112.70000
   96    75    76    37.50000  110.70000
   96    75    77    58.35000  112.70000
   96    90    91    37.50000  110.70000
   96    90    92    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  112   111    82    58.35000  112.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  106    97    98    35.00000  109.50000
  106    97   103    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    61    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   40    51    52    37.50000  110.70000
   40    51    53    37.50000  110.70000
   40    51    54    37.50000  110.70000
   47    40    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
   51    40    41    37.50000  110.70000
   51    40    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    55    56    37.50000  110.70000
   42    55    57    37.50000  110.70000
   42    55    58    37.50000  110.70000
   42    59    60    55.00000  108.50000
   55    42    43    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    42    43    35.00000  109.50000
   59    42    55    50.00000  109.50000
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
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   93    89   111   112   0.46850  1.0 1.0
   93    89   111   112   0.08550 -1.0 2.0
   93    89   111   112   0.09800  1.0 3.0
   93    97   103   104   0.15000  1.0 3.0
   93    97   103   105   0.15000  1.0 3.0
   93    97  -103   108   0.56750  1.0 1.0
   93    97  -103   108  -0.07550 -1.0 2.0
   93    97  -103   108   0.20000  1.0 3.0
   93    97   106   107  -0.11600  1.0 1.0
   93    97   106   107  -0.09450 -1.0 2.0
   93    97   106   107   0.21250  1.0 3.0
   94    93    97    98   0.15000  1.0 3.0
   94    93    97   103   0.15000  1.0 3.0
   94    93    97   106   0.23400  1.0 3.0
   95    93    97    98   0.15000  1.0 3.0
   95    93    97   103   0.15000  1.0 3.0
   95    93    97   106   0.23400  1.0 3.0
   97   103   108   109   0.15000  1.0 3.0
   97   103   108   110   0.15000  1.0 3.0
   97   103   108   111   0.56750  1.0 1.0
   97   103   108   111  -0.07550 -1.0 2.0
   97   103   108   111   0.20000  1.0 3.0
   98    97   103   104   0.15000  1.0 3.0
   98    97   103   105   0.15000  1.0 3.0
   98    97   103   108   0.15000  1.0 3.0
   98    97   106   107   0.19450  1.0 3.0
  103    97   106   107  -0.11600  1.0 1.0
  103    97   106   107  -0.09450 -1.0 2.0
  103    97   106   107   0.21250  1.0 3.0
  103   108  -111    89   0.34400  1.0 1.0
  103   108  -111    89   0.09450 -1.0 2.0
  103   108  -111    89   0.11100  1.0 3.0
  103   108   111    82   0.56750  1.0 1.0
  103   108   111    82  -0.07550 -1.0 2.0
  103   108   111    82   0.20000  1.0 3.0
  103   108   111   112   0.56750  1.0 1.0
  103   108   111   112  -0.07550 -1.0 2.0
  103   108   111   112   0.20000  1.0 3.0
  104   103   108   109   0.15000  1.0 3.0
  104   103   108   110   0.15000  1.0 3.0
  104   103   108   111   0.15000  1.0 3.0
  105   103   108   109   0.15000  1.0 3.0
  105   103   108   110   0.15000  1.0 3.0
  105   103   108   111   0.15000  1.0 3.0
  108   111    82    77   0.56750  1.0 1.0
  108   111    82    77  -0.07550 -1.0 2.0
  108   111    82    77   0.20000  1.0 3.0
  108   111    82    83   0.15000  1.0 3.0
  108   111    82    86   0.56750  1.0 1.0
  108   111    82    86  -0.07550 -1.0 2.0
  108   111    82    86   0.20000  1.0 3.0
  108   111   112   113   0.15000  1.0 3.0
  108   111   112   114   0.15000  1.0 3.0
  108   111   112   115   0.15000  1.0 3.0
  109   108   111    89   0.15000  1.0 3.0
  109   108   111    82   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  110   108   111    89   0.15000  1.0 3.0
  110   108   111    82   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  111    89    93    94   0.34800  1.0 3.0
  111    89    93    95   0.34800  1.0 3.0
  111    89   -93    97   0.46850  1.0 1.0
  111    89   -93    97   0.08550 -1.0 2.0
  111    89   -93    97   0.09800  1.0 3.0
  111    82    86    87   0.15000  1.0 3.0
  111    82    86    88   0.15000  1.0 3.0
  111    82    86    90   0.56750  1.0 1.0
  111    82    86    90  -0.07550 -1.0 2.0
  111    82    86    90   0.20000  1.0 3.0
   82    77    79    80   0.15000  1.0 3.0
   82    77    79    81   0.15000  1.0 3.0
   82    77   -79    84   0.34400  1.0 1.0
   82    77   -79    84   0.09450 -1.0 2.0
   82    77   -79    84   0.11100  1.0 3.0
   82   111   112   113   0.15000  1.0 3.0
   82   111   112   114   0.15000  1.0 3.0
   82   111   112   115   0.15000  1.0 3.0
   82    86    90    91   0.15000  1.0 3.0
   82    86    90    92   0.15000  1.0 3.0
   82    86    90    96   0.56750  1.0 1.0
   82    86    90    96  -0.07550 -1.0 2.0
   82    86    90    96   0.20000  1.0 3.0
   83    82    86    87   0.15000  1.0 3.0
   83    82    86    88   0.15000  1.0 3.0
   83    82    86    90   0.15000  1.0 3.0
   86    90    96    63   0.56750  1.0 1.0
   86    90    96    63  -0.07550 -1.0 2.0
   86    90    96    63   0.20000  1.0 3.0
   86    90   -96    75   0.56750  1.0 1.0
   86    90   -96    75  -0.07550 -1.0 2.0
   86    90   -96    75   0.20000  1.0 3.0
   86    90    96    99   0.56750  1.0 1.0
   86    90    96    99  -0.07550 -1.0 2.0
   86    90    96    99   0.20000  1.0 3.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    92   0.15000  1.0 3.0
   87    86    90    96   0.15000  1.0 3.0
   88    86    90    91   0.15000  1.0 3.0
   88    86    90    92   0.15000  1.0 3.0
   88    86    90    96   0.15000  1.0 3.0
   90    96    99   100   0.15000  1.0 3.0
   90    96    99   101   0.15000  1.0 3.0
   90    96    99   102   0.15000  1.0 3.0
   91    90    96    63   0.15000  1.0 3.0
   91    90    96    75   0.15000  1.0 3.0
   91    90    96    99   0.15000  1.0 3.0
   92    90    96    63   0.15000  1.0 3.0
   92    90    96    75   0.15000  1.0 3.0
   92    90    96    99   0.15000  1.0 3.0
   96    63    69    70   0.15000  1.0 3.0
   96    63    69    71   0.15000  1.0 3.0
   96    63   -69    72   0.56750  1.0 1.0
   96    63   -69    72  -0.07550 -1.0 2.0
   96    63   -69    72   0.20000  1.0 3.0
   96    75    77    78   0.15000  1.0 3.0
   96    75    77    79   0.56750  1.0 1.0
   96    75    77    79  -0.07550 -1.0 2.0
   96    75    77    79   0.20000  1.0 3.0
   96    75   -77    82   0.56750  1.0 1.0
   96    75   -77    82  -0.07550 -1.0 2.0
   96    75   -77    82   0.20000  1.0 3.0
  112   111    82    77   0.56750  1.0 1.0
  112   111    82    77  -0.07550 -1.0 2.0
  112   111    82    77   0.20000  1.0 3.0
  112   111    82    83   0.15000  1.0 3.0
  112   111    82    86   0.56750  1.0 1.0
  112   111    82    86  -0.07550 -1.0 2.0
  112   111    82    86   0.20000  1.0 3.0
  106    97   103   104   0.23400  1.0 3.0
  106    97   103   105   0.23400  1.0 3.0
  106    97   103   108   0.86500  1.0 1.0
  106    97   103   108  -0.17500 -1.0 2.0
  106    97   103   108   0.20800  1.0 3.0
   65    61    63    64   0.15000  1.0 3.0
   65    61    63    69   0.56750  1.0 1.0
   65    61    63    69  -0.07550 -1.0 2.0
   65    61    63    69   0.20000  1.0 3.0
   65    61    63    96   0.56750  1.0 1.0
   65    61    63    96  -0.07550 -1.0 2.0
   65    61    63    96   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    55   0.56750  1.0 1.0
   40    33    42    55  -0.07550 -1.0 2.0
   40    33    42    55   0.20000  1.0 3.0
   40    33    42    59   0.86500  1.0 1.0
   40    33    42    59  -0.17500 -1.0 2.0
   40    33    42    59   0.20800  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   41    40    51    52   0.15000  1.0 3.0
   41    40    51    53   0.15000  1.0 3.0
   41    40    51    54   0.15000  1.0 3.0
   47    40    51    52   0.15000  1.0 3.0
   47    40    51    53   0.15000  1.0 3.0
   47    40    51    54   0.15000  1.0 3.0
   51    40    47    48   0.15000  1.0 3.0
   51    40    47    49   0.15000  1.0 3.0
   51    40    47    50   0.15000  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    44   0.56750  1.0 1.0
   42    33    37    44  -0.07550 -1.0 2.0
   42    33    37    44   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    47   0.56750  1.0 1.0
   42    33    40    47  -0.07550 -1.0 2.0
   42    33    40    47   0.20000  1.0 3.0
   42    33    40    51   0.56750  1.0 1.0
   42    33    40    51  -0.07550 -1.0 2.0
   42    33    40    51   0.20000  1.0 3.0
   43    42    55    56   0.15000  1.0 3.0
   43    42    55    57   0.15000  1.0 3.0
   43    42    55    58   0.15000  1.0 3.0
   43    42    59    60   0.19450  1.0 3.0
   55    42    59    60  -0.11600  1.0 1.0
   55    42    59    60  -0.09450 -1.0 2.0
   55    42    59    60   0.21250  1.0 3.0
   59    42    55    56   0.23400  1.0 3.0
   59    42    55    57   0.23400  1.0 3.0
   59    42    55    58   0.23400  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   79    85    84    89   1.10000 -1.0 2.0
   93   111    89    84   1.10000 -1.0 2.0
END
