* LIGAND DATABASE FILE (OPLS2005)
*
001     117   118    211    299     605
    1     0 S   NP   _N1_     1    28.52657    96.42937   -21.59563
    2     1 S   H    _HN1     2     1.02781    91.68871   -93.67527
    3     1 S   H    _H1_     3     1.02956    80.96266    14.63449
    4     1 S   H    _H2_     4     1.02832    37.58869   148.59337
    5     1 S   CT   _CA1     5     1.50110   147.08628   128.44946
    6     5 S   HC   _HA1     6     1.09570   105.24852    72.20288
    7     5 S   CO3  _C1_     7     1.53819   112.34796   -48.10249
    8     7 S   O2Z  _O11     8     1.26365   114.98811   -44.17563
    9     7 S   O2Z  _O12     9     1.26234   114.93050   134.94278
   10     5 S   CT   _CB1    10     1.53076   107.42797  -169.79190
   11    10 S   HC   HB11    11     1.09824   109.47062   -49.68600
   12    10 S   HC   HB12    12     1.09824   110.39286    66.93983
   13    10 S   CT   _CG1    13     1.52972   112.58371  -170.72994
   14    13 S   HC   HG11    14     1.09595   110.45461   -61.97495
   15    13 S   HC   HG12    15     1.09648   110.02872    57.24619
   16    13 S   C    _CD1    16     1.51781   112.26627   177.62125
   17    16 S   O    _OE1    17     1.22722   123.30953    -3.84914
   18    16 S   N    _N2_    18     1.38596   111.56349   176.22685
   19    18 S   H    _HN2    19     1.01592   118.96982     2.08394
   20    18 S   CT1  _CA2    20     1.46269   123.45580  -178.49052
   21    20 S   HC   _HA2    21     1.09728   109.41805    -8.74543
   22    20 S   C    _C2_    22     1.53352   108.44085  -124.45009
   23    22 S   O    _O2_    23     1.23026   122.40020  -147.76720
   24    20 S   CT   _CB2    32     1.53344   111.14549   113.26086
   25    24 S   HC   HB21    33     1.09600   109.49568    55.40010
   26    24 S   HC   HB22    34     1.09472   110.80768   174.50299
   27    22 S   N    _N3_    24     1.38370   113.45957    39.71602
   28    27 S   H    _HN3    25     1.01644   119.48185    -3.65302
   29    24 S   S    _SG2    35     1.82653   111.29132   -65.37489
   30    27 S   CT   _CA3    26     1.45289   123.11849   176.93337
   31    30 S   HC   HA31    27     1.09553   107.52145   -63.81704
   32    30 S   HC   HA32    28     1.09559   107.94792    52.58594
   33    29 S   CT   _C22    36     1.84357    99.38443   164.09244
   34    33 S   HC   _H9_    37     1.09273   110.77923   -17.58143
   35    30 S   CO3  _C3_    29     1.52931   114.14371   174.56350
   36    35 S   O2Z  _O31    30     1.26364   116.05574    -1.08643
   37    35 S   O2Z  _O32    31     1.26430   114.41284   178.97913
   38    33 S   CM   _C23    38     1.51882   108.93846  -137.64926
   39    38 S   CMA  _C24    39     1.36450   121.92588  -113.69600
   40    39 S   OM   _O34    40     1.26557   130.16356   169.12491
   41    38 S   CT   _C25    74     1.55671   114.85687    68.43956
   42    41 S   HC   _H10    75     1.09628   109.93724   -28.78313
   43    39 S   CM   _C19    41     1.49354   118.31221   -17.50353
   44    41 S   OS   _O35    76     1.43958   112.82637  -147.32691
   45    43 S   CM   _C20    42     1.34203   122.46832    15.84373
   46    45 S   HC   _H20    43     1.08418   122.01659  -174.90265
   47    43 S   NI   _N4_    46     1.38313   115.89518  -149.86453
   48    44 S   CT   _C26    77     1.42256   113.18276    81.76293
   49    48 S   HC   _H21    78     1.09333   108.18844  -179.18243
   50    48 S   HC   _H22    79     1.09415   110.43626    62.36590
   51    48 S   HC   _H23    80     1.09346   111.15869   -60.19378
   52    33 S   CO4  _C21    44     1.52243   106.44198    97.81598
   53    52 S   O    _O36    45     1.23213   122.47711   -54.50496
   54    47 S   CD   _C18    47     1.30487   122.52850  -127.74135
   55    54 S   OM   _O33    48     1.24561   136.19788    -0.58013
   56    54 S   CM   _C17    49     1.51418   115.79404   178.23076
   57    56 S   CM   _C16    50     1.34949   113.73376    51.94837
   58    57 S   HC   _H19    51     1.08480   117.32317     7.80758
   59    56 S   CT   _C27   114     1.50290   118.34048  -119.63774
   60    59 S   HC   _H24   115     1.09490   110.48810   -82.67947
   61    59 S   HC   _H25   116     1.09263   112.96158   156.69404
   62    59 S   HC   _H26   117     1.09572   110.52459    37.35846
   63    57 S   CM   _C15    52     1.44528   127.63348  -168.12959
   64    63 S   HC   _H18    53     1.08667   116.59260     5.45751
   65    63 S   CM   _C14    54     1.34477   126.85956  -178.94408
   66    65 S   HC   _H17    55     1.09079   115.57288  -175.16305
   67    65 S   CT   _C13    56     1.51763   131.38050     7.43962
   68    67 S   HC   _H8_    57     1.10028   105.75653   146.45193
   69    67 S   CT   _C12    58     1.55657   114.73795   -97.14885
   70    69 S   HC   _H7_    59     1.09948   106.58003   178.22535
   71    67 S   OS   _O37   109     1.43082   113.15402    29.14050
   72    69 S   CM   _C11    60     1.53403   116.29094    58.76245
   73    69 S   OS   _O38   103     1.45239   106.92289   -66.59765
   74    71 S   CT   _C28   110     1.42210   113.57307    79.22238
   75    74 S   HC   _H27   111     1.09334   108.16401  -178.45212
   76    74 S   HC   _H28   112     1.09419   110.35632    63.08674
   77    74 S   HC   _H29   113     1.09364   111.20827   -59.44953
   78    72 S   CM   _C10    61     1.35245   122.64875  -105.20772
   79    78 S   HC   _H16    62     1.08845   118.22611     1.88232
   80    72 S   CT   _C30    99     1.51080   114.30062    79.21555
   81    80 S   HC   _H32   100     1.09121   111.80944   -53.94290
   82    80 S   HC   _H33   101     1.09162   113.52298  -174.08195
   83    80 S   HC   _H34   102     1.09527   109.64576    65.61610
   84    73 S   CO4  _C29   104     1.36223   117.72339  -147.60207
   85    84 S   O    _O39   105     1.22501   125.83041    -0.08393
   86    78 S   CT   _C9_    63     1.52406   127.15326  -178.18512
   87    86 S   HC   _H6_    64     1.09541   106.38343   -44.21470
   88    84 S   N    _N5_   106     1.36876   110.11117  -179.93744
   89    88 S   H    _H30   107     1.01325   120.98292   179.78330
   90    88 S   H    _H31   108     1.01318   121.07986     0.18663
   91    86 S   CT   _C8_    65     1.56031   111.10058    75.33257
   92    91 S   HC   _H5_    66     1.09840   107.15213   -49.40159
   93    86 S   CT   _C31    95     1.53348   109.33535  -158.51808
   94    93 S   HC   _H35    96     1.09522   111.95320   -68.33328
   95    93 S   HC   _H36    97     1.09347   111.28276   170.41659
   96    93 S   HC   _H37    98     1.09651   110.77992    51.76519
   97    91 S   CT   _C7_    67     1.56192   116.06373  -167.65288
   98    97 S   HC   _H4_    68     1.09563   107.85220   168.14811
   99    91 S   OS   _O40    90     1.43694   108.69133    67.63579
  100    97 S   CT   _C6_    69     1.53769   110.90596    47.63534
  101   100 S   HC   _H14    70     1.09612   108.59648    39.18051
  102   100 S   HC   _H15    71     1.09364   106.56391   -78.02270
  103    97 S   OS   _O41    85     1.43229   110.65269   -71.56615
  104    99 S   CT   _C32    91     1.42120   113.21079  -144.93184
  105   104 S   HC   _H38    92     1.09327   108.21885  -178.10855
  106   104 S   HC   _H39    93     1.09431   110.29260    63.45017
  107   104 S   HC   _H40    94     1.09327   111.16085   -59.02225
  108   100 S   CT   _C5_    72     1.54731   117.02162   162.00303
  109   108 S   HC   _H3_    73     1.09858   107.78928    48.67966
  110   103 S   CT   _C33    86     1.41978   113.29350  -110.62473
  111   110 S   HC   _H41    87     1.09323   108.29281   179.92087
  112   110 S   HC   _H42    88     1.09324   110.83930    60.99848
  113   110 S   HC   _H43    89     1.09427   110.41535   -61.40470
  114   108 S   CT   _C4_    81     1.53346   110.49069   -68.10615
  115   114 S   HC   _H11    82     1.09338   111.95160   -51.48105
  116   114 S   HC   _H12    83     1.09501   111.13030  -172.82272
  117   114 S   HC   _H13    84     1.09456   110.85548    68.45535
  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   8   5   4   3
  13   6   2   1   1  15  11   4  18   6   8   8   5   3   6   4
   2   1   1   1   1   9   3   9  10   4   4   2   1   1   7   3
   9   4  13   6  15   6   6  12   7   3   2   1   1  15   5   4
   2   1   1   4   3  13   8   2   1   1  18   7   5   2   1   1
  14   7   6  10   5   4   5   3   2   1   1   5   4   3   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    52    53    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    52    53   108    41    42    44  
   38    39    45    52    53    41  
   36    37  
   37  
    0  
   39    40    43    45    52    53    47   100   108   109    41    42    44    48   114  
   40    43    45    46    52    47    54   108    41    42    44  
   43    45    47    41  
   42    44    48    49    50    51   114   115   116   117    43    52    97   100   101   102   108   109  
   44    48   114   100   108   109  
   45    46    52    53    47    54    55    56  
   48    49    50    51   114   100   108   109  
   46    52    53    47    54  
   52    53    47  
   54    55    56    57    59    52  
   49    50    51   108  
   50    51  
   51  
    0  
   53  
    0  
   55    56    57    58    63    59    60    61    62  
   56    57    59  
   57    58    63    64    65    59    60    61    62  
   58    63    64    65    66    67    59    60    61    62  
   63    64    65    59  
   60    61    62    63  
   61    62  
   62  
    0  
   64    65    66    67    68    69    71  
   65    66    67  
   66    67    68    69    70    72    73    71    74  
   67    68    69    71  
   68    69    70    72    78    80    73    84    71    74    75    76    77  
   69    70    72    73    71    74  
   70    72    78    79    86    80    81    82    83    73    84    85    88    71    74  
   72    78    80    73    84    71  
   74    75    76    77    72    73  
   78    79    86    87    91    93    80    81    82    83    73    84  
   84    85    88    89    90    78    80  
   75    76    77  
   76    77  
   77  
    0  
   79    86    87    91    92    97    99    93    94    95    96    80    81    82    83  
   86    87    91    93    80  
   81    82    83    86  
   82    83  
   83  
    0  
   85    88    89    90  
   88    89    90  
   87    91    92    97    98   100   103    99   104    93    94    95    96  
   91    92    97    99    93    94    95    96  
   89    90  
   90  
    0  
   92    97    98   100   101   102   108   103   110    99   104   105   106   107    93    94    95    96  
   97    98   100   103    99   104    93  
   94    95    96    97    99  
   95    96  
   96  
    0  
   98   100   101   102   108   109   114   103   110   111   112   113    99   104  
  100   101   102   108   103   110    99  
  104   105   106   107   100   103  
  101   102   108   109   114   115   116   117   103   110  
  102   108   109   114   103  
  108   109   114   103  
  110   111   112   113   108  
  105   106   107  
  106   107  
  107  
    0  
  109   114   115   116   117  
  114   115   116   117  
  111   112   113  
  112   113  
  113  
    0  
  115   116   117  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   44   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   56   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   86   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   89   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   90   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   91   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   99   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  104   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  114   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   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   317.000  1.510
   33    52   317.000  1.522
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    43   465.000  1.376
   43    45   549.000  1.340
   43    47   405.000  1.380
   45    46   340.000  1.080
   45    52   320.000  1.462
   52    53   570.000  1.229
   47    54   500.000  1.261
   54    55   795.000  1.237
   54    56   320.000  1.464
   56    57   549.000  1.340
   56    59   317.000  1.510
   57    58   340.000  1.080
   57    63   380.000  1.444
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    72   317.000  1.510
   69    73   320.000  1.410
   72    78   549.000  1.340
   72    80   317.000  1.510
   78    79   340.000  1.080
   78    86   317.000  1.510
   86    87   340.000  1.090
   86    91   268.000  1.529
   86    93   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91    99   320.000  1.410
   97    98   340.000  1.090
   97   100   268.000  1.529
   97   103   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   108   268.000  1.529
  108   109   340.000  1.090
  108    41   268.000  1.529
  108   114   268.000  1.529
   41    42   340.000  1.090
   41    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
  103   110   320.000  1.410
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   340.000  1.090
   99   104   320.000  1.410
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    84   214.000  1.327
   84    85   570.000  1.229
   84    88   435.000  1.380
   88    89   434.000  1.010
   88    90   434.000  1.010
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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    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  112.20000
   29    33    52    75.00000  110.18000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    52    45    65.00000  118.62400
   33    52    53    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    70.00000  123.01800
   38    41   108    70.00000  112.02700
   38    41    42    35.00000  109.50000
   38    41    44    85.00000  110.90400
   39    43    45    70.00000  117.34000
   39    43    47    70.00000  120.83400
   43    39    40    65.00000  137.10300
   43    45    46    35.00000  120.00000
   43    45    52    65.00000  118.96000
   43    47    54    75.00000  115.77100
   45    52    53    80.00000  123.72100
   52    33    34    35.00000  109.50000
   52    33    38    70.00000  109.06800
   52    45    46    40.00000  117.72500
   47    43    45    70.00000  120.83400
   47    54    55    75.00000  134.47000
   47    54    56    70.00000  121.86000
   54    56    57    60.00000  120.31500
   54    56    59    65.00000  117.22000
   56    54    55    90.00000  107.08000
   56    57    58    35.00000  120.00000
   56    57    63    70.00000  123.01800
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   57    63    64    35.00000  120.00000
   57    63    65    70.00000  123.01800
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    35.00000  109.50000
   65    67    69    70.00000  112.02700
   65    67    71    85.00000  110.90400
   67    65    66    35.00000  117.00000
   67    69    70    37.50000  110.70000
   67    69    72    70.00000  112.02700
   67    69    73    50.00000  109.50000
   67    71    74    60.00000  109.50000
   69    67    68    37.50000  110.70000
   69    72    78    70.00000  124.00000
   69    72    80    65.00000  117.92700
   69    73    84    83.00000  116.90000
   72    69    70    35.00000  109.50000
   72    78    79    35.00000  120.00000
   72    78    86    70.00000  124.00000
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    91    70.00000  112.02700
   78    86    93    70.00000  112.02700
   86    78    79    35.00000  117.00000
   86    91    92    37.50000  110.70000
   86    91    97    58.35000  112.70000
   86    91    99    50.00000  109.50000
   86    93    94    37.50000  110.70000
   86    93    95    37.50000  110.70000
   86    93    96    37.50000  110.70000
   91    86    87    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97   100    58.35000  112.70000
   91    97   103    50.00000  109.50000
   91    99   104    60.00000  109.50000
   97    91    92    37.50000  110.70000
   97   100   101    37.50000  110.70000
   97   100   102    37.50000  110.70000
   97   100   108    58.35000  112.70000
   97   103   110    60.00000  109.50000
  100    97    98    37.50000  110.70000
  100   108   109    37.50000  110.70000
  100   108    41    58.35000  112.70000
  100   108   114    58.35000  112.70000
  102   100   101    33.00000  107.80000
  108   100   101    37.50000  110.70000
  108   100   102    37.50000  110.70000
  108    41    42    37.50000  110.70000
  108    41    44    50.00000  109.50000
  108   114   115    37.50000  110.70000
  108   114   116    37.50000  110.70000
  108   114   117    37.50000  110.70000
   41    38    39    70.00000  124.00000
   41   108   109    37.50000  110.70000
   41    44    48    60.00000  109.50000
   44    41    42    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
  114   108   109    37.50000  110.70000
  114   108    41    58.35000  112.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
  103    97    98    35.00000  109.50000
  103    97   100    50.00000  109.50000
  103   110   111    35.00000  109.50000
  103   110   112    35.00000  109.50000
  103   110   113    35.00000  109.50000
  112   110   111    33.00000  107.80000
  113   110   111    33.00000  107.80000
  113   110   112    33.00000  107.80000
   99    91    92    35.00000  109.50000
   99    91    97    50.00000  109.50000
   99   104   105    35.00000  109.50000
   99   104   106    35.00000  109.50000
   99   104   107    35.00000  109.50000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
   93    86    87    37.50000  110.70000
   93    86    91    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   80    72    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    72    85.00000  110.90400
   73    84    85    83.00000  123.40000
   73    84    88   110.00000  108.75700
   84    88    89    50.00000  116.34900
   84    88    90    50.00000  116.34900
   88    84    85    85.00000  125.96000
   90    88    89    35.00000  120.00000
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   59    56    57    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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
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   80    72    78    86   7.00000 -1.0 2.0
   73    69    72    78   0.39000  1.0 1.0
   73    69    72    78  -0.05800 -1.0 2.0
   73    69    72    78  -0.55150  1.0 3.0
   73    69    72    80   0.09700  1.0 1.0
   73    69    72    80   0.15600 -1.0 2.0
   73    69    72    80  -0.50800  1.0 3.0
   73    84    88    89   2.56700 -1.0 2.0
   73    84    88    90   2.56700 -1.0 2.0
   85    84    88    89   2.45000 -1.0 2.0
   85    84    88    90   2.45000 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    72   0.61850  1.0 1.0
   71    67    69    72  -0.22750 -1.0 2.0
   71    67    69    72   0.15300  1.0 3.0
   71    67    69    73   1.11900  1.0 1.0
   71    67    69    73  -1.16350 -1.0 2.0
   71    67    69    73  -0.34150  1.0 3.0
   59    56    57    58   7.00000 -1.0 2.0
   59    56    57    63   7.00000 -1.0 2.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   43    40    39    38   1.10000 -1.0 2.0
   39    47    43    45   1.10000 -1.0 2.0
   52    46    45    43   1.10000 -1.0 2.0
   33    45    52    53  10.50000 -1.0 2.0
   56    55    54    47  10.50000 -1.0 2.0
   54    59    56    57   1.10000 -1.0 2.0
   63    58    57    56   1.10000 -1.0 2.0
   57    64    63    65   1.10000 -1.0 2.0
   67    66    65    63   1.10000 -1.0 2.0
   69    80    72    78   1.10000 -1.0 2.0
   86    79    78    72   1.10000 -1.0 2.0
   73    88    84    85  10.50000 -1.0 2.0
   90    84    88    89   1.00000 -1.0 2.0
END
