* LIGAND DATABASE FILE (OPLS2005)
*
001     111   115    218    352     656
    1     0 S   NP   _N1_     1    29.04607    94.12849   -25.26610
    2     1 S   H    _HN1     2     1.02785   113.76153   -86.25161
    3     1 S   H    _H1_     3     1.02950    81.52739    20.14421
    4     1 S   H    _H2_     4     1.02829    25.83520  -168.24485
    5     1 S   CT   _CA1     5     1.50108   125.15728   129.19200
    6     5 S   HC   _HA1     6     1.09573   105.20726    83.68224
    7     5 S   CO3  _C1_     7     1.53792   112.43115   -36.57264
    8     7 S   O2Z  _O11     8     1.26372   115.00935   -43.39979
    9     7 S   O2Z  _O12     9     1.26239   114.94168   135.73540
   10     5 S   CT   _CB1    10     1.53079   107.42358  -158.33947
   11    10 S   HC   HB11    11     1.09832   109.39164   -49.80664
   12    10 S   HC   HB12    12     1.09813   110.44374    66.80302
   13    10 S   CT   _CG1    13     1.52987   112.59315  -170.78753
   14    13 S   HC   HG11    14     1.09585   110.61317   -65.04979
   15    13 S   HC   HG12    15     1.09668   109.81213    54.18299
   16    13 S   C    _CD1    16     1.51796   112.23652   174.64130
   17    16 S   O    _OE1    17     1.22731   123.29341     5.85752
   18    16 S   N    _N2_    18     1.38647   111.65814  -174.27193
   19    18 S   H    _HN2    19     1.01583   118.96776     1.76968
   20    18 S   CT1  _CA2    20     1.46212   123.38953   177.91587
   21    20 S   HC   _HA2    21     1.09742   109.36257     1.70295
   22    20 S   C    _C2_    22     1.53562   108.68617  -113.75378
   23    22 S   O    _O2_    23     1.23060   122.27397  -148.78479
   24    20 S   CT   _CB2    32     1.53533   111.53550   123.71661
   25    24 S   HC   HB21    33     1.09335   109.38179    56.66305
   26    24 S   HC   HB22    34     1.09399   109.46804   175.53204
   27    22 S   N    _N3_    24     1.38329   113.71460    38.73580
   28    27 S   H    _HN3    25     1.01589   119.57436    -3.44475
   29    24 S   S    _SG2    35     1.82995   110.93454   -65.10451
   30    27 S   CT   _CA3    26     1.45286   123.20378   177.06475
   31    30 S   HC   HA31    27     1.09549   107.52140   -64.24497
   32    30 S   HC   HA32    28     1.09557   107.96802    52.18580
   33    29 S   CT   _C22    36     1.87909   103.16803   171.92379
   34    30 S   CO3  _C3_    29     1.52956   114.09243   174.17856
   35    34 S   O2Z  _O31    30     1.26375   116.07315    -0.53959
   36    34 S   O2Z  _O32    31     1.26430   114.41200   179.51624
   37    33 S   CT   _C21    37     1.55309   109.53662    49.51062
   38    37 S   HC   _H8_    38     1.09470   112.40612    32.18855
   39    33 S   CT   _C27   108     1.55127   106.24076   -70.73129
   40    39 S   HC   _H25   109     1.09534   112.12752   -61.05605
   41    39 S   HC   _H26   110     1.09684   110.42165   179.63955
   42    39 S   HC   _H27   111     1.09384   113.36992    60.31562
   43    37 S   CO4  _C20    39     1.51428   111.15261   151.02141
   44    43 S   O    _O36    40     1.23195   122.10591   125.43341
   45    37 S   OH   _O39   106     1.42249   111.82242   -87.64718
   46    45 S   HO   _H28   107     0.97313   107.61662  -179.40193
   47    43 S   CT   _C19    41     1.51297   117.21901   -59.29766
   48    47 S   HC   _H21    42     1.09722   105.00529   150.59265
   49    47 S   HC   _H22    43     1.09594   108.04813   -95.30495
   50    47 S   CT   _C18    44     1.55956   114.67542    29.31727
   51    33 S   CT   _C23    45     1.59540   110.97793   173.20615
   52    51 S   HC   _H9_    46     1.10213   104.13541   151.75763
   53    50 S   CT   _C28   102     1.54527   108.23157   -93.45158
   54    53 S   HC   _H29   103     1.08983   112.79172  -179.88297
   55    53 S   HC   _H30   104     1.09070   112.44441    60.21895
   56    53 S   HC   _H31   105     1.09125   112.56864   -56.88914
   57    51 S   CT   _C24    47     1.54954   114.64136    37.04026
   58    57 S   HC   _H23    48     1.09462   111.39857   -72.81448
   59    57 S   HC   _H24    49     1.09615   109.38858    45.53418
   60    57 S   CT   _C25    50     1.52563   112.17559   165.09316
   61    60 S   HC   _H10    51     1.09760   108.01668  -179.98022
   62    60 S   CT   _C12    52     1.52290   112.96543    57.28919
   63    60 S   OS   _O37    64     1.45683   106.73534   -66.78542
   64    62 S   CT   _C13    53     1.53152   115.47677    81.75838
   65    64 S   HC   _H19    54     1.08797   115.73474   -89.31568
   66    64 S   HC   _H20    55     1.09633   112.10747    34.35915
   67    50 S   CT   _C17    89     1.60434   107.19782   143.55900
   68    67 S   HC   _H7_    90     1.09872   102.74493   -52.39372
   69    64 S   OS   _O35    56     1.44829   105.56255   150.52540
   70    69 S   CT   _C14    57     1.46338   108.35829   -10.67348
   71    62 S   CT   _C11    58     1.53308   106.77759  -171.37967
   72    71 S   HC   _H4_    59     1.10483   108.84817   -57.91555
   73    70 S   CT   _C15    85     1.54398   106.65958    98.67382
   74    73 S   HC   _H5_    86     1.09761   108.62702    67.62622
   75    70 S   CO4  _C29    95     1.52667   104.36872  -140.03133
   76    75 S   O    _O42    96     1.22593   124.19508    16.43695
   77    71 S   CT   _C10    60     1.51754   112.89325    59.16320
   78    77 S   HC   _H3_    61     1.09153   112.86339    65.96669
   79    73 S   CT   _C16    87     1.54660   111.61535   -53.12237
   80    79 S   HC   _H6_    88     1.09602   109.37219  -160.92026
   81    73 S   OH   _O41    93     1.42395   111.00723  -174.78921
   82    81 S   HO   _H33    94     0.97264   107.89345  -173.40453
   83    75 S   OS   _O43    97     1.36270   111.11126  -164.52734
   84    77 S   CO4  _C26    62     1.52140   110.33280   -53.32639
   85    84 S   O    _O38    63     1.22787   122.83723  -146.45238
   86    77 S   OS   _O34    65     1.43788   108.50432  -171.35160
   87    79 S   OH   _O40    91     1.42228   108.15674    83.35019
   88    87 S   HO   _H32    92     0.97235   108.08884    60.53335
   89    83 S   CT   _C30    98     1.43075   115.54476   179.45106
   90    89 S   HC   _H34    99     1.09331   108.09200   179.87646
   91    89 S   HC   _H35   100     1.09417   110.32541    61.17767
   92    89 S   HC   _H36   101     1.09413   110.25872   -61.45755
   93    86 S   CO4  _C9_    66     1.36178   117.54026  -148.73921
   94    93 S   O    _O33    67     1.21882   126.75152     0.92894
   95    93 S   CM   _C8_    68     1.48392   106.99400  -179.75853
   96    95 S   HC   _H18    69     1.08772   114.82148   -11.50691
   97    95 S   CM   _C7_    70     1.34790   125.96205   170.14813
   98    97 S   CT   _C31    71     1.50680   124.38949    -3.36779
   99    98 S   HC   _H37    72     1.09446   110.23640    92.27020
  100    98 S   HC   _H38    73     1.09278   112.65769   -29.71421
  101    98 S   HC   _H39    74     1.09412   111.33718  -147.93426
  102    97 S   CT   _C5_    75     1.52840   118.84010   176.40642
  103   102 S   HC   _H14    76     1.09900   108.82357    -7.31797
  104   102 S   CT   _C4_    77     1.53088   111.95166   110.11759
  105   104 S   HC   _H11    78     1.09474   112.14147    67.40837
  106   104 S   HC   _H12    79     1.09565   110.38268  -172.85452
  107   104 S   HC   _H13    80     1.09552   111.01133   -53.57458
  108   102 S   CT   _C6_    81     1.53109   112.07265  -124.53271
  109   108 S   HC   _H15    82     1.09529   111.92584   -66.59165
  110   108 S   HC   _H16    83     1.09556   110.46678   173.61712
  111   108 S   HC   _H17    84     1.09557   110.96464    54.24575
  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
  20   2   1   1  16   7   9   3   2   1  10   5   3   1  14   5
   4  19  15   6   8   3   2   1  10   5   4  16   6  19   8  12
   5   4  13   5  11  17  14   6  11   6   9   2   7   4   5   3
   2   1   4   3   1   5   1   1   3   2   1   1   6   3  10   3
  14   7   3   2   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    50    51    52    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    50    51    52    57    58    59    60    67    53    45    46    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    48    49    50    51    52    57    45    46    39    40    41    42  
   43    44    47    51    45    46    39  
   40    41    42    43    45    50    51    52    57  
   41    42    51  
   42    51  
   51  
   44    47    48    49    50    51    67    53    45    46  
   47    48    49    50    45  
   46    47    51  
    0  
   48    49    50    51    52    57    62    79    67    68    53    54    55    56  
   49    50    51    67    53  
   50    51    67    53  
   51    52    57    58    59    60    62    64    71    73    79    80    67    68    87    53    54    55    56  
   52    57    58    59    60    61    62    63    79    67    68    53    54    55    56  
   57    58    59    60    67    53  
   54    55    56    57    62    67    68    79  
   55    56    67  
   56    67  
   67  
   58    59    60    61    62    64    71    84    63    67  
   59    60    61    62    63  
   60    61    62    63  
   61    62    64    65    66    69    70    71    72    77    84    85    63    79    67    68  
   62    64    71    84    63    67  
   64    65    66    69    70    71    72    77    78    84    63    86    73    79    80    67    68    87    75  
   86    67    64    71    77    78    84    85  
   65    66    69    70    71    72    77    73    79    67    68    75  
   66    69    70    71    67  
   69    70    71    67  
   68    87    88    81    69    70    71    72    73    74    77    79    80  
   87    71    73    79    80  
   70    71    72    77    73    74    79    81    75    76    83  
   71    72    77    78    84    86    73    74    79    80    87    81    82    75    76    83    89  
   72    77    78    84    85    86    93    73    74    79    81    75    76    83  
   77    78    84    86    73    75  
   74    79    80    87    88    81    82    75    76    83    77  
   79    80    87    81    82    75  
   76    83    89    90    91    92    77    79    81  
   83    89  
   78    84    85    86    93    94    95  
   84    85    86    93  
   80    87    88    81    82  
   87    88    81  
   82    87  
    0  
   89    90    91    92  
   85    86    93  
   86  
   93    94    95    96    97  
   88  
    0  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98   102  
   95    96    97  
   96    97    98    99   100   101   102   103   104   108  
   97    98   102  
   98    99   100   101   102   103   104   105   106   107   108   109   110   111  
   99   100   101   102   103   104   108  
  100   101   102  
  101   102  
  102  
  103   104   105   106   107   108   109   110   111  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111  
  110   111  
  111  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   320.000  1.410
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    67   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    64   268.000  1.529
   62    71   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   320.000  1.410
   70    71   268.000  1.529
   70    73   268.000  1.529
   70    75   317.000  1.522
   71    72   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    84   317.000  1.522
   77    86   320.000  1.410
   84    85   570.000  1.229
   84    63   214.000  1.327
   86    93   214.000  1.327
   93    94   570.000  1.229
   93    95   320.000  1.462
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   317.000  1.510
   97   102   317.000  1.510
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   340.000  1.090
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    67   268.000  1.529
   79    87   320.000  1.410
   67    68   340.000  1.090
   87    88   553.000  0.945
   81    82   553.000  0.945
   75    76   570.000  1.229
   75    83   214.000  1.327
   83    89   320.000  1.410
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    50.00000  109.50000
   33    51    50    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.00000
   37    45    46    55.00000  108.50000
   43    37    38    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    63.00000  111.10000
   47    43    44    80.00000  120.40000
   47    50    51    58.35000  112.70000
   47    50    67    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    67    62    58.35000  112.70000
   50    67    79    58.35000  112.70000
   50    67    68    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    58.35000  112.70000
   60    62    71    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    63    84    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    50.00000  109.50000
   62    71    70    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    77    58.35000  112.70000
   62    67    79    58.35000  112.70000
   62    67    68    37.50000  110.70000
   64    69    70    60.00000  109.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    50.00000  109.50000
   69    70    73    50.00000  109.50000
   69    70    75    90.00000  108.74100
   70    71    72    37.50000  110.70000
   70    71    77    58.35000  112.70000
   70    73    74    37.50000  110.70000
   70    73    79    58.35000  112.70000
   70    73    81    50.00000  109.50000
   70    75    76    80.00000  120.40000
   70    75    83    81.00000  111.40000
   71    62    64    58.35000  112.70000
   71    77    78    37.50000  110.70000
   71    77    84    63.00000  111.10000
   71    77    86    50.00000  109.50000
   77    71    72    37.50000  110.70000
   77    84    85    80.00000  120.40000
   77    84    63    81.00000  111.40000
   77    86    93    83.00000  116.90000
   84    77    78    35.00000  109.50000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   63    84    85    83.00000  123.40000
   86    77    78    35.00000  109.50000
   86    77    84    90.00000  108.74100
   86    93    94    83.00000  123.40000
   86    93    95    90.00000  111.29400
   93    95    96    40.00000  117.72500
   93    95    97    65.00000  118.96000
   95    93    94    80.00000  123.72100
   95    97    98    70.00000  124.00000
   95    97   102    70.00000  124.00000
   97    95    96    35.00000  120.00000
   97    98    99    35.00000  109.50000
   97    98   100    35.00000  109.50000
   97    98   101    35.00000  109.50000
   97   102   103    35.00000  109.50000
   97   102   104    70.00000  112.02700
   97   102   108    70.00000  112.02700
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    97    98    65.00000  117.92700
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    37.50000  110.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    33.00000  107.80000
  111   108   110    33.00000  107.80000
   73    70    71    58.35000  112.70000
   73    79    80    37.50000  110.70000
   73    79    67    58.35000  112.70000
   73    79    87    50.00000  109.50000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    67    68    37.50000  110.70000
   79    87    88    55.00000  108.50000
   67    50    51    58.35000  112.70000
   67    62    64    58.35000  112.70000
   67    62    71    58.35000  112.70000
   67    79    80    37.50000  110.70000
   87    79    80    35.00000  109.50000
   87    79    67    50.00000  109.50000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    70    71    63.00000  111.10000
   75    70    73    63.00000  111.10000
   75    83    89    83.00000  116.90000
   83    75    76    83.00000  123.40000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   53    50    51    58.35000  112.70000
   53    50    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    43    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    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
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
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   94    93    95    97   1.00000 -1.0 2.0
   95    97    98    99   0.00000  1.0 1.0
   95    97    98   100   0.00000  1.0 1.0
   95    97    98   101   0.00000  1.0 1.0
   95    97   102   103   0.00000  1.0 1.0
   95    97   102   104   0.09850  1.0 1.0
   95    97   102   104   0.15250 -1.0 2.0
   95    97   102   104  -0.50650  1.0 3.0
   95    97   102   108   0.09850  1.0 1.0
   95    97   102   108   0.15250 -1.0 2.0
   95    97   102   108  -0.50650  1.0 3.0
   96    95    97    98   7.00000 -1.0 2.0
   96    95    97   102   7.00000 -1.0 2.0
   97   102   104   105   0.15000  1.0 3.0
   97   102   104   106   0.15000  1.0 3.0
   97   102   104   107   0.15000  1.0 3.0
   97   102   108   109   0.15000  1.0 3.0
   97   102   108   110   0.15000  1.0 3.0
   97   102   108   111   0.15000  1.0 3.0
   98    97   102   103   0.34800  1.0 3.0
   98    97   102   104   0.46850  1.0 1.0
   98    97   102   104   0.08550 -1.0 2.0
   98    97   102   104   0.09800  1.0 3.0
   98    97   102   108   0.46850  1.0 1.0
   98    97   102   108   0.08550 -1.0 2.0
   98    97   102   108   0.09800  1.0 3.0
  102    97    98    99   0.34800  1.0 3.0
  102    97    98   100   0.34800  1.0 3.0
  102    97    98   101   0.34800  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.15000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
   73    70    71    62   0.56750  1.0 1.0
   73    70    71    62  -0.07550 -1.0 2.0
   73    70    71    62   0.20000  1.0 3.0
   73    70    71    72   0.15000  1.0 3.0
   73    70    71    77   0.56750  1.0 1.0
   73    70    71    77  -0.07550 -1.0 2.0
   73    70    71    77   0.20000  1.0 3.0
   73    70    75    76   0.30150 -1.0 2.0
   73    70    75    83   0.36750  1.0 3.0
   73    79    67    50   0.56750  1.0 1.0
   73    79    67    50  -0.07550 -1.0 2.0
   73    79    67    50   0.20000  1.0 3.0
   73    79   -67    62   0.56750  1.0 1.0
   73    79   -67    62  -0.07550 -1.0 2.0
   73    79   -67    62   0.20000  1.0 3.0
   73    79    67    68   0.15000  1.0 3.0
   73    79    87    88  -0.11600  1.0 1.0
   73    79    87    88  -0.09450 -1.0 2.0
   73    79    87    88   0.21250  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    67   0.15000  1.0 3.0
   74    73    79    87   0.23400  1.0 3.0
   74    73    81    82   0.19450  1.0 3.0
   79    73    81    82  -0.11600  1.0 1.0
   79    73    81    82  -0.09450 -1.0 2.0
   79    73    81    82   0.21250  1.0 3.0
   80    79    67    50   0.15000  1.0 3.0
   80    79    67    62   0.15000  1.0 3.0
   80    79    67    68   0.15000  1.0 3.0
   80    79    87    88   0.19450  1.0 3.0
   67    50    51    33   0.56750  1.0 1.0
   67    50    51    33  -0.07550 -1.0 2.0
   67    50    51    33   0.20000  1.0 3.0
   67    50    51    52   0.15000  1.0 3.0
   67    50   -51    57   0.56750  1.0 1.0
   67    50   -51    57  -0.07550 -1.0 2.0
   67    50   -51    57   0.20000  1.0 3.0
   67    50    53    54   0.15000  1.0 3.0
   67    50    53    55   0.15000  1.0 3.0
   67    50    53    56   0.15000  1.0 3.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    69   0.62750  1.0 1.0
   67    62    64    69  -0.30950 -1.0 2.0
   67    62    64    69   0.27300  1.0 3.0
   67    62   -71    70   0.56750  1.0 1.0
   67    62   -71    70  -0.07550 -1.0 2.0
   67    62   -71    70   0.20000  1.0 3.0
   67    62    71    72   0.15000  1.0 3.0
   67    62    71    77   0.56750  1.0 1.0
   67    62    71    77  -0.07550 -1.0 2.0
   67    62    71    77   0.20000  1.0 3.0
   67    79    87    88  -0.11600  1.0 1.0
   67    79    87    88  -0.09450 -1.0 2.0
   67    79    87    88   0.21250  1.0 3.0
   87    79    67    50   0.86500  1.0 1.0
   87    79    67    50  -0.17500 -1.0 2.0
   87    79    67    50   0.20800  1.0 3.0
   87    79    67    62   0.86500  1.0 1.0
   87    79    67    62  -0.17500 -1.0 2.0
   87    79    67    62   0.20800  1.0 3.0
   87    79    67    68   0.23400  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    67   0.86500  1.0 1.0
   81    73    79    67  -0.17500 -1.0 2.0
   81    73    79    67   0.20800  1.0 3.0
   81    73    79    87   3.75450  1.0 1.0
   75    70    71    62  -0.95700  1.0 1.0
   75    70    71    62  -0.18200 -1.0 2.0
   75    70    71    62   0.29450  1.0 3.0
   75    70    71    72  -0.11250  1.0 3.0
   75    70    71    77  -0.95700  1.0 1.0
   75    70    71    77  -0.18200 -1.0 2.0
   75    70    71    77   0.29450  1.0 3.0
   75    70    73    74  -0.11250  1.0 3.0
   75    70    73    79  -0.95700  1.0 1.0
   75    70    73    79  -0.18200 -1.0 2.0
   75    70    73    79   0.29450  1.0 3.0
   75    70    73    81  -0.09450  1.0 1.0
   75    70    73    81  -1.12950 -1.0 2.0
   75    70    73    81   0.54000  1.0 3.0
   75    83    89    90   0.08050  1.0 3.0
   75    83    89    91   0.08050  1.0 3.0
   75    83    89    92   0.08050  1.0 3.0
   76    75    83    89   3.00000 -1.0 2.0
   53    50    51    33   0.56750  1.0 1.0
   53    50    51    33  -0.07550 -1.0 2.0
   53    50    51    33   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    67    62   0.56750  1.0 1.0
   53    50    67    62  -0.07550 -1.0 2.0
   53    50    67    62   0.20000  1.0 3.0
   53    50    67    79   0.56750  1.0 1.0
   53    50    67    79  -0.07550 -1.0 2.0
   53    50    67    79   0.20000  1.0 3.0
   53    50    67    68   0.15000  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    47   0.55300  1.0 1.0
   45    37    43    47   1.25850 -1.0 2.0
   45    37    43    47  -0.23600  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.86500  1.0 1.0
   39    33    37    45  -0.17500 -1.0 2.0
   39    33    37    45   0.20800  1.0 3.0
   39    33    51    50   0.56750  1.0 1.0
   39    33    51    50  -0.07550 -1.0 2.0
   39    33    51    50   0.20000  1.0 3.0
   39    33    51    52   0.15000  1.0 3.0
   39    33    51    57   0.56750  1.0 1.0
   39    33    51    57  -0.07550 -1.0 2.0
   39    33    51    57   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
   77    63    84    85  10.50000 -1.0 2.0
   86    95    93    94  10.50000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   98   102    97    95  15.00000 -1.0 2.0
   70    83    75    76  10.50000 -1.0 2.0
END
