* 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     1.02155    32.86649   167.91517
    3     1 S   H    _H1_     3     1.02094    90.91213   -67.71634
    4     1 S   H    _H2_     4     1.02089    89.64216    40.97634
    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   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C31    36     1.84124    97.56921   159.99383
   34    33 S   HC   _H3_    37     1.09724   102.93912   -33.24353
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C26    38     1.52929   107.90403    80.00312
   39    38 S   HC   _H70    39     1.09266   111.70053    69.63669
   40    38 S   HC   _H71    40     1.09787   110.65346   -48.25408
   41    38 S   HC   _H72    41     1.09170   113.11515  -168.59362
   42    33 S   CT   _C32    42     1.57024   112.91398  -149.22682
   43    42 S   CT   _C28    43     1.55891   115.71019   -66.93868
   44    43 S   HC   _H75    44     1.09667   109.59452   -54.48605
   45    43 S   HC   _H76    45     1.09776   108.61885  -165.69975
   46    42 S   CT   _C30   104     1.57597   112.15274    63.45343
   47    46 S   HC   _H78   105     1.09665   109.03485   -72.14007
   48    42 S   OH   _O33   114     1.44916   105.62142   177.87864
   49    48 S   HO   _H81   115     0.96325   105.18370    62.50988
   50    43 S   CT   _C27    46     1.53114   116.93501    70.32348
   51    50 S   HC   _H73    47     1.09406   109.60357   -63.86383
   52    50 S   HC   _H74    48     1.09501   109.92589    53.79660
   53    46 S   CT   _C24   106     1.53821   113.40442   169.27720
   54    53 S   HC   _H64   107     1.09412   111.50802   -60.00601
   55    53 S   HC   _H65   108     1.09586   110.76614    58.32327
   56    53 S   HC   _H66   109     1.09460   111.67402   178.35242
   57    46 S   CT   _C25   110     1.53968   112.86705    46.85052
   58    57 S   HC   _H67   111     1.09366   111.90963    59.90341
   59    57 S   HC   _H68   112     1.09512   110.61232   -58.78702
   60    57 S   HC   _H69   113     1.09429   111.65871  -178.53060
   61    50 S   CT   _C29    49     1.54556   113.42439   174.95399
   62    61 S   HC   _H77    50     1.10004   108.41275   -59.97159
   63    61 S   CT   _C17    51     1.52213   110.12689  -178.12800
   64    63 S   HC   _H53    52     1.10027   107.10406   -79.97406
   65    61 S   CT   _C23   100     1.53236   112.10090    59.00111
   66    65 S   HC   _H61   101     1.09471   111.64391    60.73844
   67    65 S   HC   _H62   102     1.09536   110.56465   -58.46999
   68    65 S   HC   _H63   103     1.09548   111.14898  -178.39685
   69    63 S   CT   _C10    53     1.54721   112.87608    38.25546
   70    69 S   HC   _H42    54     1.09577   112.12099    28.92756
   71    69 S   HC   _H43    55     1.09599   110.32478   -90.64449
   72    69 S   CT   _C8_    56     1.54037   106.27239   148.96633
   73    72 S   HC   _H38    57     1.09455   111.31550   128.32499
   74    72 S   HC   _H39    58     1.09525   110.40243  -112.30152
   75    72 S   CT   _C16    59     1.52610   104.09524     7.47010
   76    75 S   HC   _H52    60     1.10306   105.87282    79.24246
   77    75 S   CT   _C14    61     1.53154   118.79222  -161.24291
   78    77 S   HC   _H50    62     1.09590   109.31999    60.16045
   79    77 S   CT   _C6_    63     1.53598   110.74626   -58.20992
   80    79 S   HC   _H34    64     1.09599   109.04679    74.24479
   81    79 S   HC   _H35    65     1.09810   110.65633   -42.91200
   82    77 S   CT   _C15    81     1.55681   109.47536  -179.80416
   83    82 S   HC   _H51    82     1.10213   105.77618    65.80979
   84    79 S   CM   _C4_    66     1.49521   113.64972  -164.33685
   85    84 S   HC   _H33    67     1.08706   115.74664  -166.36018
   86    82 S   CT   _C9_    83     1.55384   112.71776   -48.68512
   87    86 S   HC   _H40    84     1.09384   110.62066   -74.67033
   88    86 S   HC   _H41    85     1.09598   109.68870   168.59898
   89    84 S   CM   _C5_    68     1.34454   124.69304    13.39431
   90    86 S   CT   _C13    86     1.53865   113.89263    47.55334
   91    90 S   HC   _H48    87     1.09769   108.57373    69.01954
   92    90 S   HC   _H49    88     1.09646   109.51276  -175.29231
   93    89 S   CT   _C7_    69     1.51219   119.87526  -178.81651
   94    93 S   HC   _H36    70     1.09798   111.65383    -7.23367
   95    93 S   HC   _H37    71     1.09694   109.56279   108.53743
   96    63 S   CT   _C20    89     1.54792   116.58683   158.14676
   97    93 S   CT   _C18    72     1.52689   111.80067  -129.29986
   98    97 S   HC   _H54    73     1.09654   109.68293    68.63941
   99    96 S   CT   _C22    90     1.54940   111.11999   -46.26794
  100    99 S   HC   _H58    91     1.08182   108.75999   -51.94244
  101    99 S   HC   _H59    92     1.08192   108.68688  -171.85838
  102    99 S   HC   _H60    93     1.08111   108.75127    68.11871
  103    97 S   CT   _C11    74     1.52442   111.21893   -53.40959
  104   103 S   HC   _H44    75     1.09683   110.21554   -66.82828
  105   103 S   HC   _H45    76     1.09642   109.54823   177.72144
  106    97 S   OH   _O30    98     1.42407   108.45645  -173.91298
  107   106 S   HO   _H80    99     0.97071   106.58143  -179.98022
  108   103 S   CT   _C12    77     1.52805   111.20933    56.31126
  109   108 S   HC   _H46    78     1.09830   107.81905    67.02715
  110   108 S   HC   _H47    79     1.09686   108.10367  -178.38263
  111    89 S   CT   _C19    80     1.53473   122.96688     1.58622
  112   111 S   CT   _C21    94     1.54791   107.96067  -107.93106
  113   112 S   HC   _H55    95     1.08261   108.74562   179.96044
  114   112 S   HC   _H56    96     1.08125   108.83127    60.01267
  115   112 S   HC   _H57    97     1.08131   108.79565   -60.09250
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1   7   3   2   1  19  15   7   6  12   9   4
   1  12   5   4   7   3   2   1   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    53    57    48    49  
   38    39    40    41    42    43    46    48  
   36    37  
   37  
    0  
   39    40    41    42    43    46    48  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    52    61    46    47    53    54    55    56    57    58    59    60    48    49  
   44    45    50    51    52    61    62    63    65    46    47    53    57    48    49  
   45    50    51    52    61    46    48  
   50    51    52    61    46    48  
   47    53    54    55    56    57    58    59    60    48    49    50  
   53    54    55    56    57    58    59    60    48  
   49    50    53    57  
    0  
   51    52    61    62    63    64    69    96    65    66    67    68  
   52    61    62    63    65  
   61    62    63    65  
   54    55    56    57    58    59    60  
   55    56    57  
   56    57  
   57  
   58    59    60  
   59    60  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   268.000  1.529
   42    46   268.000  1.529
   42    48   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    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
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    58.35000  112.70000
   33    42    46    58.35000  112.70000
   33    42    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    46    53    58.35000  112.70000
   42    46    57    58.35000  112.70000
   42    48    49    55.00000  108.50000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    61    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    61    62    37.50000  110.70000
   50    61    63    58.35000  112.70000
   50    61    65    58.35000  112.70000
   52    50    51    33.00000  107.80000
   61    50    51    37.50000  110.70000
   61    50    52    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
   46    42    43    58.35000  112.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    60    37.50000  110.70000
   53    46    47    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    46    47    37.50000  110.70000
   57    46    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   48    42    43    50.00000  109.50000
   48    42    46    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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   89   111   -82    77   0.11100  1.0 3.0
   89   111    82    83   0.15000  1.0 3.0
   89   111    82    86   0.34400  1.0 1.0
   89   111    82    86   0.09450 -1.0 2.0
   89   111    82    86   0.11100  1.0 3.0
   89   111   112   113   0.15000  1.0 3.0
   89   111   112   114   0.15000  1.0 3.0
   89   111   112   115   0.15000  1.0 3.0
   93    89   111   108   0.46850  1.0 1.0
   93    89   111   108   0.08550 -1.0 2.0
   93    89   111   108   0.09800  1.0 3.0
   93    89   111    82   0.46850  1.0 1.0
   93    89   111    82   0.08550 -1.0 2.0
   93    89   111    82   0.09800  1.0 3.0
   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
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    45   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    48    49  -0.11600  1.0 1.0
   46    42    48    49  -0.09450 -1.0 2.0
   46    42    48    49   0.21250  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    60   0.15000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   53    46    57    60   0.15000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    55   0.15000  1.0 3.0
   57    46    53    56   0.15000  1.0 3.0
   48    42    43    44   0.23400  1.0 3.0
   48    42    43    45   0.23400  1.0 3.0
   48    42    43    50   0.86500  1.0 1.0
   48    42    43    50  -0.17500 -1.0 2.0
   48    42    43    50   0.20800  1.0 3.0
   48    42    46    47   0.23400  1.0 3.0
   48    42    46    53   0.86500  1.0 1.0
   48    42    46    53  -0.17500 -1.0 2.0
   48    42    46    53   0.20800  1.0 3.0
   48    42    46    57   0.86500  1.0 1.0
   48    42    46    57  -0.17500 -1.0 2.0
   48    42    46    57   0.20800  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
   37    30    35    36  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
