* LIGAND DATABASE FILE (OPLS2005)
*
001     108   111    218    353     660
    1     0 S   NP   _N1_     1    28.51011    91.36165   -25.68484
    2     1 S   H    _HN1     2     1.02949    91.69241    19.52512
    3     1 S   H    _H1_     3     1.02829    15.41739  -157.09906
    4     1 S   H    _H2_     4     1.02790   114.99802   -91.67670
    5     1 S   CT   _CA1     5     1.50117   116.99056   133.51733
    6     5 S   HC   _HA1     6     1.09574   105.18003    74.67869
    7     5 S   CO3  _C1_     7     1.53780   112.47737   -45.54190
    8     7 S   O2Z  _O11     8     1.26374   115.00788   -42.34809
    9     7 S   O2Z  _O12     9     1.26241   114.94287   136.74502
   10     5 S   CT   _CB1    10     1.53073   107.41569  -167.34463
   11    10 S   HC   HB11    11     1.09836   109.34757   -49.59019
   12    10 S   HC   HB12    12     1.09813   110.46183    67.01196
   13    10 S   CT   _CG1    13     1.53002   112.62171  -170.55165
   14    13 S   HC   HG11    14     1.09578   110.67037   -66.44598
   15    13 S   HC   HG12    15     1.09672   109.74971    52.79414
   16    13 S   C    _CD1    16     1.51805   112.14487   173.25384
   17    16 S   O    _OE1    17     1.22742   123.24663     8.99966
   18    16 S   N    _N2_    18     1.38646   111.72374  -171.01069
   19    18 S   H    _HN2    19     1.01574   118.96142     1.49358
   20    18 S   CT1  _CA2    20     1.46224   123.42347   177.33597
   21    20 S   HC   _HA2    21     1.09737   109.31329     6.04024
   22    20 S   C    _C2_    22     1.53628   108.78764  -109.50761
   23    22 S   O    _O2_    23     1.23076   122.26625  -148.37024
   24    20 S   CT   _CB2    32     1.53328   111.56619   128.02819
   25    24 S   HC   HB21    33     1.09585   109.96986    56.48143
   26    24 S   HC   HB22    34     1.09396   110.02567   175.49968
   27    22 S   N    _N3_    24     1.38322   113.81315    39.10651
   28    27 S   H    _HN3    25     1.01559   119.61071    -3.20516
   29    24 S   S    _SG2    35     1.82746   111.49452   -64.36464
   30    27 S   CT   _CA3    26     1.45287   123.25203   177.17811
   31    30 S   HC   HA31    27     1.09549   107.50243   -64.90569
   32    30 S   HC   HA32    28     1.09557   108.00306    51.54555
   33    29 S   CT   _C8_    36     1.86699    99.70248   174.55435
   34    33 S   HC   _H4_    37     1.09763   105.29676   -30.12678
   35    30 S   CO3  _C3_    29     1.52970   114.05670   173.54828
   36    35 S   O2Z  _O31    30     1.26380   116.07309    -0.67551
   37    35 S   O2Z  _O32    31     1.26426   114.41656   179.38611
   38    33 S   CT   _C7_    38     1.55429   105.60314    85.10034
   39    38 S   HC   _H15    39     1.09675   110.08708   -45.15247
   40    38 S   HC   _H16    40     1.09777   109.63395    69.09361
   41    33 S   CT   _C9_    99     1.57976   110.89326  -147.23471
   42    41 S   OM   _O33   100     1.32337   109.28218   167.21826
   43    38 S   CT   _C6_    41     1.53892   117.48476  -167.63890
   44    43 S   HC   _H13    42     1.09886   107.25203   177.29941
   45    43 S   HC   _H14    43     1.09410   108.16665   -69.79440
   46    41 S   CT   _C10   101     1.54211   113.20713   -72.64915
   47    46 S   HC   _H17   102     1.09713   112.66234   -62.90510
   48    46 S   HC   _H18   103     1.09563   111.35583    58.04987
   49    46 S   HC   _H19   104     1.09886   111.70844   177.24707
   50    41 S   CT   _C11   105     1.55134   112.13120    50.67215
   51    50 S   HC   _H20   106     1.09828   111.72670    49.87455
   52    50 S   HC   _H21   107     1.09574   111.88722   -70.93958
   53    50 S   HC   _H22   108     1.09946   112.16734   170.17041
   54    43 S   CT   _C5_    44     1.55456   117.01584    55.54680
   55    54 S   HC   _H3_    45     1.09530   108.22366   -61.54775
   56    54 S   CT   _C12    46     1.56029   109.93369  -179.71333
   57    56 S   HC   _H5_    47     1.10093   107.03786   -58.35362
   58    54 S   CT   _C4_    95     1.53141   110.53944    56.10434
   59    58 S   HC   _H10    96     1.09472   111.31238    68.19626
   60    58 S   HC   _H11    97     1.09124   111.34098  -170.30998
   61    58 S   HC   _H12    98     1.09253   111.97350   -52.89443
   62    56 S   CT   _C13    48     1.55853   111.96090    58.58559
   63    62 S   HC   _H23    49     1.09521   112.01960    29.90241
   64    62 S   HC   _H24    50     1.09590   110.22113   -89.80364
   65    62 S   CT   _C14    51     1.53306   107.39024   149.77146
   66    65 S   HC   _H25    52     1.09479   111.29588   130.11256
   67    65 S   HC   _H26    53     1.09579   110.49401  -110.49013
   68    65 S   CT   _C15    54     1.51982   103.82696     9.24331
   69    68 S   HC   _H6_    55     1.10343   105.97916    78.23504
   70    68 S   CT   _C20    56     1.53356   117.81678  -162.79261
   71    70 S   HC   _H8_    57     1.09596   109.22668    60.91481
   72    70 S   CT   _C21    58     1.53687   110.79989   -57.44957
   73    72 S   HC   _H31    59     1.09672   109.04565    74.32002
   74    72 S   HC   _H32    60     1.09716   110.61578   -42.82668
   75    70 S   CT   _C19    76     1.55309   109.57263  -179.06791
   76    75 S   HC   _H7_    77     1.10235   105.86128    65.71549
   77    72 S   CM   _C22    61     1.49526   113.69409  -164.31470
   78    77 S   HC   _H33    62     1.08757   115.69351  -166.46397
   79    75 S   CT   _C18    78     1.54932   112.29914   -48.75997
   80    79 S   HC   _H29    79     1.09382   110.65265   -74.20411
   81    79 S   HC   _H30    80     1.09591   109.66546   168.97195
   82    77 S   CM   _C23    63     1.34441   124.70450    13.32430
   83    79 S   CT   _C17    81     1.53893   113.93027    47.96300
   84    83 S   HC   _H27    82     1.09767   108.73340    68.30812
   85    83 S   HC   _H28    83     1.09271   107.88664  -176.80935
   86    82 S   CT   _C28    64     1.51173   119.98033  -178.83165
   87    86 S   HC   _H38    65     1.09785   111.60635    -7.25601
   88    86 S   HC   _H39    66     1.09741   109.60762   108.40845
   89    56 S   CT   _C16    84     1.56207   119.82152   179.05892
   90    86 S   CT   _C27    67     1.52585   111.90269  -129.35159
   91    90 S   HC   _H9_    68     1.09694   109.72591    68.55633
   92    89 S   CT   _C30    85     1.54734   110.85402   -45.19722
   93    92 S   HC   _H44    86     1.09463   112.35903   -47.02601
   94    92 S   HC   _H45    87     1.09310   112.77359  -167.70798
   95    92 S   HC   _H46    88     1.09472   110.96775    72.78353
   96    90 S   CT   _C26    69     1.52544   111.17301   -53.37952
   97    96 S   HC   _H36    70     1.09694   110.18977   -66.92593
   98    96 S   HC   _H37    71     1.09706   109.56952   177.63951
   99    90 S   OH   _O34    93     1.42435   108.63669  -173.89754
  100    99 S   HO   _H40    94     0.97246   107.51721  -179.65001
  101    96 S   CT   _C25    72     1.52814   111.23818    56.22089
  102   101 S   HC   _H34    73     1.09862   107.78198    67.05330
  103   101 S   HC   _H35    74     1.09653   108.16706  -178.38723
  104    82 S   CT   _C24    75     1.53504   122.87610     1.49279
  105   104 S   CT   _C29    89     1.54770   107.99306  -107.86253
  106   105 S   HC   _H41    90     1.09480   111.68116  -171.48837
  107   105 S   HC   _H42    91     1.09485   111.80038    67.50235
  108   105 S   HC   _H43    92     1.09516   112.35670   -52.46198
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  13   6   5  10   8  12   5   4   7   3   2
   1   3   2   1   1  15   8  23   9   5   2   1   1  11   6   5
  11   5   4  19   7  18   9  11   5   4  20   8   9   3  11   6
   5  15   8   3   2  12   6   5   4  10   6   3   2   1   1   9
   6   5   2   1   7   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    54    41    42    46    47    48    49    50    51    52    53  
   38    39    40    43    41    42    46    50  
   36    37  
   37  
    0  
   39    40    43    44    45    54    55    56    58    41    42    46    50  
   40    43    44    45    54    41  
   43    44    45    54    41  
   42    46    47    48    49    50    51    52    53    43  
   46    47    48    49    50    51    52    53  
   44    45    54    55    56    57    62    89    58    59    60    61  
   45    54    55    56    58  
   54    55    56    58  
   47    48    49    50    51    52    53  
   48    49    50  
   49    50  
   50  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    62    63    64    65    68    83    89    92    58    59    60    61  
   56    57    62    89    58    59    60    61  
   57    62    63    64    65    66    67    68    69    70    79    83    84    85    89    92    93    94    95    58    59    60    61  
   62    63    64    65    68    83    89    92    58  
   59    60    61    62    89  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    83    89    92  
   64    65    66    67    68    89  
   65    66    67    68    89  
   66    67    68    69    70    71    72    75    83    89    92  
   67    68    69    70    89  
   68    69    70    89  
   69    70    71    72    73    74    77   104    75    76    79    83    84    85    89    92    93    94    95  
   70    71    72    75    83    89    92  
   71    72    73    74    77    78    82   101   104    75    76    79    80    81    83    89    92   105  
   72    73    74    77   104    75    76    79    89  
   73    74    77    78    82    86   104    75    76    79    89  
   74    77    78    82    75  
   77    78    82    75  
   76    79    80    81    83    84    85    89   105   106   107   108    77    82    86    96   101   102   103   104  
   79    80    81    83   105    82   101   104  
   78    82    86    87    88    90   101   104   105  
   82    86   104  
   80    81    83    84    85    89    92   105    82   101   104  
   81    83    84    85    89   104  
   83    84    85    89   104  
   86    87    88    90    91    96   101   102   103   104   105   106   107   108    99  
   84    85    89    92    93    94    95   104  
   85    89    92  
   89    92  
   87    88    90    91    96    97    98   101   104   105    99   100  
   88    90    91    96   104    99  
   90    91    96   104    99  
   92    93    94    95  
   91    96    97    98   101   102   103   104    99   100  
   96    97    98   101    99   100  
   93    94    95  
   94    95  
   95  
    0  
   97    98   101   102   103   104   105    99   100  
   98   101   102   103   104    99  
  101   102   103   104    99  
  100   101  
    0  
  102   103   104   105   106   107   108  
  103   104   105  
  104   105  
  105   106   107   108  
  106   107   108  
  107   108  
  108  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  100   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    89   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    89   268.000  1.529
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   317.000  1.510
   77    78   340.000  1.080
   77    82   549.000  1.340
   82    86   317.000  1.510
   82   104   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    90   268.000  1.529
   90    91   340.000  1.090
   90    96   268.000  1.529
   90    99   320.000  1.410
   96    97   340.000  1.090
   96    98   340.000  1.090
   96   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104    75   268.000  1.529
  104   105   268.000  1.529
   75    76   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    89   268.000  1.529
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
   99   100   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   570.000  1.307
   41    46   268.000  1.529
   41    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   33    41    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    54    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    54    55    37.50000  110.70000
   43    54    56    58.35000  112.70000
   43    54    58    58.35000  112.70000
   45    43    44    33.00000  107.80000
   54    43    44    37.50000  110.70000
   54    43    45    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    58.35000  112.70000
   54    56    89    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    58.35000  112.70000
   56    89    68    58.35000  112.70000
   56    89    83    58.35000  112.70000
   56    89    92    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    58.35000  112.70000
   65    68    89    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    72    58.35000  112.70000
   68    70    75    58.35000  112.70000
   68    89    83    58.35000  112.70000
   68    89    92    58.35000  112.70000
   70    68    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    77    70.00000  112.02700
   70    75   104    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    79    58.35000  112.70000
   72    70    71    37.50000  110.70000
   72    77    78    35.00000  117.00000
   72    77    82    70.00000  124.00000
   74    72    73    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   77    82    86    70.00000  124.00000
   77    82   104    70.00000  124.00000
   82    77    78    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    90    70.00000  112.02700
   82   104   101    70.00000  112.02700
   82   104    75    70.00000  112.02700
   82   104   105    70.00000  112.02700
   86    90    91    37.50000  110.70000
   86    90    96    58.35000  112.70000
   86    90    99    50.00000  109.50000
   88    86    87    33.00000  107.80000
   90    86    87    37.50000  110.70000
   90    86    88    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96   101    58.35000  112.70000
   90    99   100    55.00000  108.50000
   96    90    91    37.50000  110.70000
   96   101   102    37.50000  110.70000
   96   101   103    37.50000  110.70000
   96   101   104    58.35000  112.70000
   98    96    97    33.00000  107.80000
  101    96    97    37.50000  110.70000
  101    96    98    37.50000  110.70000
  101   104    75    58.35000  112.70000
  101   104   105    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104    82    86    65.00000  117.92700
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104    75    76    37.50000  110.70000
  104    75    79    58.35000  112.70000
  104   105   106    37.50000  110.70000
  104   105   107    37.50000  110.70000
  104   105   108    37.50000  110.70000
   75    70    71    37.50000  110.70000
   75    70    72    58.35000  112.70000
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    83    58.35000  112.70000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    89    58.35000  112.70000
   81    79    80    33.00000  107.80000
   83    79    80    37.50000  110.70000
   83    79    81    37.50000  110.70000
   83    89    92    58.35000  112.70000
   85    83    84    33.00000  107.80000
   89    56    57    37.50000  110.70000
   89    56    62    58.35000  112.70000
   89    68    69    37.50000  110.70000
   89    68    70    58.35000  112.70000
   89    83    84    37.50000  110.70000
   89    83    85    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    37.50000  110.70000
   89    92    95    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
  105   104    75    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
   99    90    91    35.00000  109.50000
   99    90    96    50.00000  109.50000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   41    50    51    37.50000  110.70000
   41    50    52    37.50000  110.70000
   41    50    53    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    41    42    50.00000  109.50000
   50    41    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
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  102   101   104    75   0.15000  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  103   101   104    82   0.15000  1.0 3.0
  103   101   104    75   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  104    82    86    87   0.34800  1.0 3.0
  104    82    86    88   0.34800  1.0 3.0
  104    82   -86    90   0.46850  1.0 1.0
  104    82   -86    90   0.08550 -1.0 2.0
  104    82   -86    90   0.09800  1.0 3.0
  104    75    79    80   0.15000  1.0 3.0
  104    75    79    81   0.15000  1.0 3.0
  104    75    79    83   0.56750  1.0 1.0
  104    75    79    83  -0.07550 -1.0 2.0
  104    75    79    83   0.20000  1.0 3.0
   75    70    72    73   0.15000  1.0 3.0
   75    70    72    74   0.15000  1.0 3.0
   75    70   -72    77   0.34400  1.0 1.0
   75    70   -72    77   0.09450 -1.0 2.0
   75    70   -72    77   0.11100  1.0 3.0
   75   104   105   106   0.15000  1.0 3.0
   75   104   105   107   0.15000  1.0 3.0
   75   104   105   108   0.15000  1.0 3.0
   75    79    83    84   0.15000  1.0 3.0
   75    79    83    85   0.15000  1.0 3.0
   75    79    83    89   0.56750  1.0 1.0
   75    79    83    89  -0.07550 -1.0 2.0
   75    79    83    89   0.20000  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    83   0.15000  1.0 3.0
   79    83    89    56   0.56750  1.0 1.0
   79    83    89    56  -0.07550 -1.0 2.0
   79    83    89    56   0.20000  1.0 3.0
   79    83   -89    68   0.56750  1.0 1.0
   79    83   -89    68  -0.07550 -1.0 2.0
   79    83   -89    68   0.20000  1.0 3.0
   79    83    89    92   0.56750  1.0 1.0
   79    83    89    92  -0.07550 -1.0 2.0
   79    83    89    92   0.20000  1.0 3.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    85   0.15000  1.0 3.0
   80    79    83    89   0.15000  1.0 3.0
   81    79    83    84   0.15000  1.0 3.0
   81    79    83    85   0.15000  1.0 3.0
   81    79    83    89   0.15000  1.0 3.0
   83    89    92    93   0.15000  1.0 3.0
   83    89    92    94   0.15000  1.0 3.0
   83    89    92    95   0.15000  1.0 3.0
   84    83    89    56   0.15000  1.0 3.0
   84    83    89    68   0.15000  1.0 3.0
   84    83    89    92   0.15000  1.0 3.0
   85    83    89    56   0.15000  1.0 3.0
   85    83    89    68   0.15000  1.0 3.0
   85    83    89    92   0.15000  1.0 3.0
   89    56    62    63   0.15000  1.0 3.0
   89    56    62    64   0.15000  1.0 3.0
   89    56   -62    65   0.56750  1.0 1.0
   89    56   -62    65  -0.07550 -1.0 2.0
   89    56   -62    65   0.20000  1.0 3.0
   89    68    70    71   0.15000  1.0 3.0
   89    68    70    72   0.56750  1.0 1.0
   89    68    70    72  -0.07550 -1.0 2.0
   89    68    70    72   0.20000  1.0 3.0
   89    68   -70    75   0.56750  1.0 1.0
   89    68   -70    75  -0.07550 -1.0 2.0
   89    68   -70    75   0.20000  1.0 3.0
  105   104    75    70   0.56750  1.0 1.0
  105   104    75    70  -0.07550 -1.0 2.0
  105   104    75    70   0.20000  1.0 3.0
  105   104    75    76   0.15000  1.0 3.0
  105   104    75    79   0.56750  1.0 1.0
  105   104    75    79  -0.07550 -1.0 2.0
  105   104    75    79   0.20000  1.0 3.0
   99    90    96    97   0.23400  1.0 3.0
   99    90    96    98   0.23400  1.0 3.0
   99    90    96   101   0.86500  1.0 1.0
   99    90    96   101  -0.17500 -1.0 2.0
   99    90    96   101   0.20800  1.0 3.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.56750  1.0 1.0
   58    54    56    62  -0.07550 -1.0 2.0
   58    54    56    62   0.20000  1.0 3.0
   58    54    56    89   0.56750  1.0 1.0
   58    54    56    89  -0.07550 -1.0 2.0
   58    54    56    89   0.20000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   42    41    50    51   0.23400  1.0 3.0
   42    41    50    52   0.23400  1.0 3.0
   42    41    50    53   0.23400  1.0 3.0
   46    41    50    51   0.15000  1.0 3.0
   46    41    50    52   0.15000  1.0 3.0
   46    41    50    53   0.15000  1.0 3.0
   50    41    46    47   0.15000  1.0 3.0
   50    41    46    48   0.15000  1.0 3.0
   50    41    46    49   0.15000  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
   36    30    35    37  10.50000 -1.0 2.0
   72    78    77    82   1.10000 -1.0 2.0
   86   104    82    77   1.10000 -1.0 2.0
END
