* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    220    348     655
    1     0 S   NP   _N1_     1    28.85850    94.54543   -25.04828
    2     1 S   H    _HN1     2     1.02788   113.99213   -96.47664
    3     1 S   H    _H1_     3     1.02949    82.37383    10.29541
    4     1 S   H    _H2_     4     1.02828    24.91742  -177.28906
    5     1 S   CT   _CA1     5     1.50124   124.40773   119.82614
    6     5 S   HC   _HA1     6     1.09574   105.17342    82.90958
    7     5 S   CO3  _C1_     7     1.53783   112.49598   -37.28912
    8     7 S   O2Z  _O11     8     1.26374   115.00335   -41.49192
    9     7 S   O2Z  _O12     9     1.26242   114.95264   137.59198
   10     5 S   CT   _CB1    10     1.53073   107.41036  -159.10789
   11    10 S   HC   HB11    11     1.09836   109.34205   -49.50974
   12    10 S   HC   HB12    12     1.09812   110.45638    67.09518
   13    10 S   CT   _CG1    13     1.52995   112.62734  -170.47855
   14    13 S   HC   HG11    14     1.09578   110.65931   -66.57911
   15    13 S   HC   HG12    15     1.09672   109.75381    52.65818
   16    13 S   C    _CD1    16     1.51805   112.17576   173.10499
   17    16 S   O    _OE1    17     1.22734   123.26581     8.67081
   18    16 S   N    _N2_    18     1.38656   111.70261  -171.36209
   19    18 S   H    _HN2    19     1.01575   118.92539     1.68679
   20    18 S   CT1  _CA2    20     1.46210   123.40015   177.06068
   21    20 S   HC   _HA2    21     1.09738   109.37541     4.79158
   22    20 S   C    _C2_    22     1.53608   108.65279  -110.70966
   23    22 S   O    _O2_    23     1.23070   122.26266  -147.83905
   24    20 S   CT   _CB2    32     1.53379   111.55817   126.89343
   25    24 S   HC   HB21    33     1.09514   109.81847    56.24662
   26    24 S   HC   HB22    34     1.09442   109.72932   175.25162
   27    22 S   N    _N3_    24     1.38319   113.76529    39.59015
   28    27 S   H    _HN3    25     1.01570   119.60248    -3.17299
   29    24 S   S    _SG2    35     1.82745   111.31248   -65.39438
   30    27 S   CT   _CA3    26     1.45282   123.24245   177.21632
   31    30 S   HC   HA31    27     1.09548   107.49863   -65.00080
   32    30 S   HC   HA32    28     1.09556   108.00608    51.44926
   33    29 S   CT   _C27    36     1.87205   101.20905   167.38199
   34    30 S   CO3  _C3_    29     1.52967   114.06163   173.45375
   35    34 S   O2Z  _O31    30     1.26380   116.07510    -0.70416
   36    34 S   O2Z  _O32    31     1.26428   114.41220   179.35806
   37    33 S   CT   _C17    37     1.55694   113.78624    54.05599
   38    37 S   HC   _H3_    38     1.09865   108.45393   -57.99728
   39    33 S   CT   _C26    99     1.57420   113.16095  -175.47554
   40    33 S   OH   _O37   116     1.44909   105.21581   -60.84056
   41    40 S   HO   _H27   117     0.97399   105.57315   -59.58748
   42    37 S   CO4  _C16    39     1.53152   115.84690    60.49731
   43    42 S   O    _O35    40     1.22791   122.22557   -24.81966
   44    39 S   OH   _O38   100     1.44689   105.87810    60.47711
   45    44 S   HO   _H28   101     0.97444   107.82011   174.10881
   46    42 S   CA   _C14    41     1.49760   119.20493   158.49525
   47    46 S   CA   _C13    42     1.40768   119.89860    -5.36739
   48    47 S   CA   _C12    43     1.41970   119.80761   179.61692
   49    47 S   CT   _C19    82     1.51037   120.75384     0.78833
   50    49 S   HC   _H23    83     1.09756   107.69257    96.22752
   51    49 S   HC   _H24    84     1.09663   110.64172  -146.87020
   52    48 S   CA   _C11    44     1.40911   119.26337     1.55091
   53    52 S   HA   _H21    45     1.08423   117.84124  -179.37162
   54    48 S   NE   _N8_    73     1.40446   120.41707  -177.43601
   55    37 S   CT   _C18    85     1.53531   109.71449  -173.36520
   56    55 S   HC   _H4_    86     1.09878   109.15308    59.85158
   57    52 S   CA   _C10    46     1.39352   121.41660    -0.81901
   58    54 S   CT   _C31    74     1.45678   117.42415  -129.32045
   59    58 S   HC   _H37    75     1.09543   109.96548   163.87886
   60    58 S   HC   _H38    76     1.09582   111.11802    45.38108
   61    58 S   HC   _H39    77     1.09521   111.61546   -76.52883
   62    54 S   CT   _C32    78     1.45782   114.82041    86.96312
   63    62 S   HC   _H40    79     1.09533   110.24651  -168.84213
   64    62 S   HC   _H41    80     1.09582   110.82931    71.54091
   65    62 S   HC   _H42    81     1.09515   111.84419   -49.66134
   66    55 S   CT   _C20    87     1.53190   111.56773   -58.14420
   67    66 S   HC   _H25    88     1.09809   109.00704   176.78016
   68    66 S   HC   _H26    89     1.09403   109.47742   -67.99926
   69    46 S   CA   _C15    47     1.40862   120.77742   175.27951
   70    57 S   N    _N5_    50     1.41728   123.85293  -179.92087
   71    70 S   H    _H20    51     1.01859   114.02518   179.44893
   72    66 S   CT   _C21    90     1.54948   112.53181    56.31751
   73    72 S   HC   _H5_    91     1.09678   105.38326    66.62357
   74    69 S   OH   _O34    48     1.37580   122.64733    -1.44171
   75    74 S   HO   _H22    49     0.97334   108.97449    -3.30772
   76    70 S   C    _C9_    52     1.38821   128.02457    -1.05127
   77    76 S   O    _O33    53     1.22714   127.63994    -0.00000
   78    72 S   CT   _C22    92     1.56644   110.25990  -176.78235
   79    78 S   HC   _H6_    93     1.10317   106.14002   -52.36225
   80    76 S   CT1  _C8_    54     1.51787   111.07845  -179.91607
   81    80 S   HC   _H18    55     1.09291   109.37000    61.34207
   82    80 S   HC   _H19    56     1.09292   109.39300   -60.74244
   83    78 S   CMA  _C23    94     1.55722   107.40397    64.59264
   84    83 S   OM   _O40    95     1.26721   110.32248  -135.00622
   85    78 S   NT   _N7_   107     1.50125   112.23626  -169.24099
   86    80 S   NP   _N4_    57     1.50235   110.75777  -179.70064
   87    86 S   H    _H16    58     1.03055   107.58512   -56.01332
   88    86 S   H    _H17    59     1.03054   107.58898    56.11232
   89    83 S   CM   _C24    96     1.35858   118.93379    41.72724
   90    85 S   CT   _C29   108     1.46916   113.03702  -170.68223
   91    90 S   HC   _H31   109     1.09676   110.53177  -177.44940
   92    90 S   HC   _H32   110     1.09460   111.50488    66.09603
   93    90 S   HC   _H33   111     1.09589   112.22170   -56.92144
   94    85 S   CT   _C30   112     1.47240   111.42328    67.81454
   95    94 S   HC   _H34   113     1.09659   110.51523   178.52316
   96    94 S   HC   _H35   114     1.09593   112.05447    57.91350
   97    94 S   HC   _H36   115     1.09305   112.00115   -64.52782
   98    86 S   CT   _C5_    60     1.51498   118.93213  -179.95154
   99    89 S   CO4  _C25    97     1.50187   120.40258    -0.01978
  100    99 S   O    _O36    98     1.23292   118.07089   152.95033
  101    89 S   C    _C28   102     1.50824   119.43459   178.32918
  102   101 S   O    _O39   103     1.22739   123.70995   -32.93653
  103    98 S   CT   _C4_    61     1.53522   106.26260  -180.00000
  104   103 S   HC   _H7_    62     1.09610   111.38706   -60.14811
  105   103 S   HC   _H8_    63     1.09610   111.38629    60.16051
  106   103 S   HC   _H9_    64     1.09591   110.99479  -180.00000
  107    98 S   CT   _C6_    65     1.53033   109.59716   -61.35167
  108   107 S   HC   _H10    66     1.09497   111.92278    67.63155
  109   107 S   HC   _H11    67     1.09579   111.42601   -53.41422
  110   107 S   HC   _H12    68     1.09612   110.72125  -173.13264
  111    98 S   CT   _C7_    69     1.53033   109.59540    61.38970
  112   111 S   HC   _H13    70     1.09497   111.92275   -67.64168
  113   111 S   HC   _H14    71     1.09579   111.42616    53.40410
  114   111 S   HC   _H15    72     1.09612   110.72112   173.12294
  115   101 S   N    _N6_   104     1.37418   113.99108   147.44285
  116   115 S   H    _H29   105     1.01507   122.84095     1.74630
  117   115 S   H    _H30   106     1.01331   120.17060   179.86878
  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  11   5   4   3
  20   2   1   1  20   9  19   6   1  11   4   8   2  13  15  18
  11   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1
   1   9   4   3   5   8   3  11   5   1   1   8   4  15   6   9
   5   4  10   4   9  15   5   4   7   7   3   2   1   3   2   1
   1  12   4   1   4   3  11   4   3   2   7   3   2   1   3   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    55    72    99    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    55    56    66    72    73    78    89    99   100    39    44    45    40    41  
   35    36  
   36  
    0  
   38    42    43    46    47    69    49    50    51    55    56    66    67    68    72    99    39    44    40    41  
   42    43    46    49    55    56    66    39    40  
   44    45   101    85    40    41    42    55    66    67    68    72    73    78    79    83    89    99   100  
   41    42    44    55    72    99  
    0  
   43    46    47    48    57    69    74    49    55    56    66  
   46    47    69    55  
   45    66    72    73    78    89    99   100  
   72    99  
   47    48    52    57    69    74    75    70    54    49    50    51    55  
   48    52    53    57    69    74    54    58    62    49    50    51    55    56    66  
   52    53    57    69    70    54    58    59    60    61    62    63    64    65    49    50    51    55  
   50    51    55    56    66    67    68    72    52    54    69  
   51    55    56    66  
   55    56    66  
   53    57    69    74    70    71    76    54    58    62  
   57    69    70    54  
   58    59    60    61    62    63    64    65    57  
   56    66    67    68    72    73    78  
   66    67    68    72  
   69    74    75    70    71    76    77    80  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    78    79    83    99    85  
   68    72    73    78  
   72    73    78  
   74    75    70    71    76  
   71    76    77    80    81    82    86    74  
   76    77    80  
   73    78    79    83    84    89    99   100    85    90    94  
   78    79    83    99    85  
   75  
    0  
   77    80    81    82    86    87    88    98  
   80    81    82    86  
   79    83    84    89    99   101    85    90    91    92    93    94    95    96    97  
   83    84    89    85    90    94  
   81    82    86    87    88    98   103   107   111  
   82    86    87    88    98  
   86    87    88    98  
   84    89    99   100   101   102   115    85    90    94  
   89    99   101    85  
   90    91    92    93    94    95    96    97    89  
   87    88    98   103   104   105   106   107   108   109   110   111   112   113   114  
   88    98   103   107   111  
   98   103   107   111  
   99   100   101   102   115   116   117  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
  103   104   105   106   107   108   109   110   111   112   113   114  
  100   101   102   115  
  101  
  102   115   116   117  
  115   116   117  
  104   105   106   107   108   109   110   111   112   113   114  
  105   106   107   111  
  106   107   111  
  107   111  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111  
  112   113   114  
  113   114  
  114  
    0  
  116   117  
  117  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   85   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   86   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
   87   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   88   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.290000   1.9750   1.7500   0.005000000  -0.741685710
   99   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  115   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  116   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  117   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
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    39   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    55   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    47   469.000  1.400
   46    69   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    54   481.000  1.340
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    69   469.000  1.400
   57    70   360.000  1.404
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   367.000  1.471
   86    87   434.000  1.010
   86    88   434.000  1.010
   86    98   367.000  1.471
   98   103   268.000  1.529
   98   107   268.000  1.529
   98   111   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   54    58   382.000  1.448
   54    62   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    39   268.000  1.529
   78    79   340.000  1.090
   78    83   270.000  1.512
   78    85   382.000  1.448
   83    84   745.000  1.250
   83    89   465.000  1.376
   89    99   320.000  1.462
   89   101   410.000  1.444
   99   100   570.000  1.229
   99    39   317.000  1.522
   39    44   320.000  1.410
   44    45   553.000  0.945
  101   102   570.000  1.229
  101   115   490.000  1.335
  115   116   434.000  1.010
  115   117   434.000  1.010
   85    90   382.000  1.448
   85    94   382.000  1.448
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   40    41   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    39    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    55    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39    99    63.00000  111.10000
   33    39    44    50.00000  109.50000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  115.47100
   37    55    49    58.35000  112.70000
   37    55    56    37.50000  110.70000
   37    55    66    58.35000  112.70000
   42    37    38    35.00000  109.50000
   42    46    47    60.00000  119.52600
   42    46    69    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    47    48    63.00000  120.00000
   46    47    49    70.00000  120.00000
   46    69    57    63.00000  120.00000
   46    69    74    70.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    54    70.00000  120.10000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.17500
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    50.00000  120.00000
   48    54    62    50.00000  120.00000
   52    57    69    63.00000  120.00000
   52    57    70    70.00000  119.01900
   57    52    53    35.00000  120.00000
   57    69    74    70.00000  120.00000
   57    70    71    45.00000  118.23600
   57    70    76    65.00000  121.96500
   69    46    47    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    57    69    70.00000  119.01900
   70    76    77    80.00000  122.90000
   70    76    80    70.00000  116.60000
   76    70    71    35.00000  119.80000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    86    80.00000  111.20000
   80    76    77    80.00000  120.40000
   80    86    87    35.00000  109.50000
   80    86    88    35.00000  109.50000
   80    86    98    75.00000  113.01200
   82    80    81    33.00000  107.80000
   86    80    81    35.00000  109.50000
   86    80    82    35.00000  109.50000
   86    98   103    80.00000  111.20000
   86    98   107    80.00000  111.20000
   86    98   111    80.00000  111.20000
   88    86    87    35.00000  109.50000
   98    86    87    35.00000  109.50000
   98    86    88    35.00000  109.50000
   98   103   104    37.50000  110.70000
   98   103   105    37.50000  110.70000
   98   103   106    37.50000  110.70000
   98   107   108    37.50000  110.70000
   98   107   109    37.50000  110.70000
   98   107   110    37.50000  110.70000
   98   111   112    37.50000  110.70000
   98   111   113    37.50000  110.70000
   98   111   114    37.50000  110.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
  107    98   103    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111    98   103    58.35000  112.70000
  111    98   107    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   54    48    52    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    58    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   49    47    48    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    37    38    37.50000  110.70000
   55    37    42    63.00000  111.10000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    72    58.35000  112.70000
   66    55    56    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    83    70.00000  112.02700
   72    78    85    56.20000  109.47000
   72    39    99    63.00000  111.10000
   72    39    44    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    83    84    85.00000  112.85300
   78    83    89    65.00000  122.18000
   78    85    90    51.80000  107.20000
   78    85    94    51.80000  107.20000
   83    78    79    45.00000  110.52000
   83    89    99    60.00000  125.92000
   83    89   101    60.00000  120.04000
   89    83    84    65.00000  137.10300
   89    99   100    80.00000  123.72100
   89    99    39    65.00000  118.62400
   89   101   102    80.00000  125.30000
   89   101   115    80.00000  111.56200
   99    39    44    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    78    58.35000  112.70000
   39    99   100    80.00000  120.40000
   39    44    45    55.00000  108.50000
  101    89    99    55.00000  123.68000
  101   115   116    35.00000  119.80000
  101   115   117    35.00000  119.80000
  115   101   102    80.00000  122.90000
  117   115   116    35.00000  120.00000
   85    78    79    35.00000  109.50000
   85    78    83    75.00000  110.70900
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   85    94    95    35.00000  109.50000
   85    94    96    35.00000  109.50000
   85    94    97    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    85    90    51.80000  107.20000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    39    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
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
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   78    72    39    44  -0.17500 -1.0 2.0
   78    72    39    44   0.20800  1.0 3.0
   78    83   -89    99   7.00000 -1.0 2.0
   78    83    89   101   7.00000 -1.0 2.0
   78    85    90    91   0.28000  1.0 3.0
   78    85    90    92   0.28000  1.0 3.0
   78    85    90    93   0.28000  1.0 3.0
   78    85    94    95   0.28000  1.0 3.0
   78    85    94    96   0.28000  1.0 3.0
   78    85    94    97   0.28000  1.0 3.0
   79    78    83    84   0.00000  1.0 1.0
   79    78    83    89   0.00000  1.0 1.0
   79    78    85    90   0.28000  1.0 3.0
   79    78    85    94   0.28000  1.0 3.0
   83    78    85    90  -0.60800  1.0 1.0
   83    78    85    90   1.10050 -1.0 2.0
   83    78    85    90   0.47000  1.0 3.0
   83    78    85    94  -0.60800  1.0 1.0
   83    78    85    94   1.10050 -1.0 2.0
   83    78    85    94   0.47000  1.0 3.0
   83    89    99   100   1.00000 -1.0 2.0
   83    89    99    39  -0.33500  1.0 1.0
   83    89    99    39   1.06600 -1.0 2.0
   83    89    99    39  -0.14000  1.0 3.0
   83    89   101   102   1.00000 -1.0 2.0
   83    89   101   115   0.49500  1.0 1.0
   83    89   101   115   1.31600 -1.0 2.0
   83    89   101   115  -0.02300  1.0 3.0
   84    83    89    99   7.00000 -1.0 2.0
   84    83    89   101   7.00000 -1.0 2.0
   89    99    39    33   0.65300  1.0 1.0
   89    99    39    33  -0.03850 -1.0 2.0
   89    99    39    33   0.33900  1.0 3.0
   89    99   -39    72   0.65300  1.0 1.0
   89    99   -39    72  -0.03850 -1.0 2.0
   89    99   -39    72   0.33900  1.0 3.0
   89    99    39    44   0.65300  1.0 1.0
   89    99    39    44  -0.03850 -1.0 2.0
   89    99    39    44   0.33900  1.0 3.0
   89   101   115   116   2.56700 -1.0 2.0
   89   101   115   117   2.56700 -1.0 2.0
   99    89   101   102   2.50000 -1.0 2.0
   99    89   101   115   1.50000 -1.0 2.0
   99    39    44    45   0.91850  1.0 1.0
   99    39    44    45   0.57950  1.0 3.0
  100    99    39    33   0.30150 -1.0 2.0
  100    99    39    72   0.30150 -1.0 2.0
  100    99    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42  -0.95700  1.0 1.0
   39    33    37    42  -0.18200 -1.0 2.0
   39    33    37    42   0.29450  1.0 3.0
   39    33   -37    55   0.56750  1.0 1.0
   39    33   -37    55  -0.07550 -1.0 2.0
   39    33   -37    55   0.20000  1.0 3.0
   39    33    40    41  -0.11600  1.0 1.0
   39    33    40    41  -0.09450 -1.0 2.0
   39    33    40    41   0.21250  1.0 3.0
   39    72    78    79   0.15000  1.0 3.0
   39    72   -78    83   0.34400  1.0 1.0
   39    72   -78    83   0.09450 -1.0 2.0
   39    72   -78    83   0.11100  1.0 3.0
   39    72    78    85   1.85550  1.0 1.0
   39    72    78    85  -0.84100 -1.0 2.0
  101    89    99   100   2.50000 -1.0 2.0
  101    89    99    39   1.50000 -1.0 2.0
  102   101   115   116   2.45000 -1.0 2.0
  102   101   115   117   2.45000 -1.0 2.0
   85    78    83    84   0.09700  1.0 1.0
   85    78    83    84   0.15600 -1.0 2.0
   85    78    83    84  -0.50800  1.0 3.0
   85    78    83    89   0.90200  1.0 1.0
   85    78    83    89   0.57900 -1.0 2.0
   85    78    83    89  -0.62100  1.0 3.0
   90    85    94    95   0.28000  1.0 3.0
   90    85    94    96   0.28000  1.0 3.0
   90    85    94    97   0.28000  1.0 3.0
   94    85    90    91   0.28000  1.0 3.0
   94    85    90    92   0.28000  1.0 3.0
   94    85    90    93   0.28000  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    42  -0.09450  1.0 1.0
   40    33    37    42  -1.12950 -1.0 2.0
   40    33    37    42   0.54000  1.0 3.0
   40    33    37    55   0.86500  1.0 1.0
   40    33    37    55  -0.17500 -1.0 2.0
   40    33    37    55   0.20800  1.0 3.0
   40    33    39    72   0.86500  1.0 1.0
   40    33    39    72  -0.17500 -1.0 2.0
   40    33    39    72   0.20800  1.0 3.0
   40    33    39    99  -0.09450  1.0 1.0
   40    33    39    99  -1.12950 -1.0 2.0
   40    33    39    99   0.54000  1.0 3.0
   40    33    39    44   3.75450  1.0 1.0
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    46    42    43  10.50000 -1.0 2.0
   47    69    46    42   4.00000 -1.0 2.0
   48    49    47    46   4.00000 -1.0 2.0
   52    54    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   69    70    57    52   4.00000 -1.0 2.0
   57    74    69    46   4.00000 -1.0 2.0
   71    76    70    57   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   62    48    54    58   1.00000 -1.0 2.0
   78    84    83    89   1.10000 -1.0 2.0
   99   101    89    83   1.10000 -1.0 2.0
   89    39    99   100  10.50000 -1.0 2.0
   89   115   101   102  10.50000 -1.0 2.0
  117   101   115   116   1.00000 -1.0 2.0
END
