* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    209    349     635
    1     0 S   NP   _N1_     1    28.76453    94.17991   -23.18691
    2     1 S   H    _HN1     2     1.02841    25.51085   171.69307
    3     1 S   H    _H1_     3     1.02781   101.84402   -81.55865
    4     1 S   H    _H2_     4     1.02957    86.18497    26.35781
    5     1 S   CT   _CA1     5     1.50109   133.64122   141.19392
    6     5 S   HC   _HA1     6     1.09575   105.24885    72.77166
    7     5 S   CO3  _C1_     7     1.53802   112.30855   -47.48148
    8     7 S   O2Z  _O11     8     1.26363   115.02008   -46.14337
    9     7 S   O2Z  _O12     9     1.26234   114.91157   133.02610
   10     5 S   CT   _CB1    10     1.53100   107.44528  -169.32349
   11    10 S   HC   HB11    11     1.09826   109.40410   -50.69315
   12    10 S   HC   HB12    12     1.09819   110.40477    65.86858
   13    10 S   CT   _CG1    13     1.53018   112.63578  -171.76598
   14    13 S   HC   HG11    14     1.09597   110.46152   -62.54279
   15    13 S   HC   HG12    15     1.09647   109.99085    56.68169
   16    13 S   C    _CD1    16     1.51800   112.27410   177.08523
   17    16 S   O    _OE1    17     1.22744   123.30125    -2.27176
   18    16 S   N    _N2_    18     1.38625   111.71682   177.85297
   19    18 S   H    _HN2    19     1.01592   119.09524     2.04411
   20    18 S   CT1  _CA2    20     1.46039   123.26598  -179.33383
   21    20 S   HC   _HA2    21     1.09784   109.38859    -1.97229
   22    20 S   C    _C2_    22     1.53278   108.24321  -117.27535
   23    22 S   O    _O2_    23     1.23009   122.36228  -139.54622
   24    20 S   CT   _CB2    32     1.53416   111.90366   119.73522
   25    24 S   HC   HB21    33     1.09542   110.06631    56.32794
   26    24 S   HC   HB22    34     1.09288   109.27635   175.17095
   27    22 S   N    _N3_    24     1.38524   113.27626    48.11558
   28    27 S   H    _HN3    25     1.01507   119.18347    -1.86330
   29    24 S   S    _SG2    35     1.83319   110.90946   -64.54430
   30    27 S   CT   _CA3    26     1.45378   122.96982   173.39482
   31    30 S   HC   HA31    27     1.09536   109.10283    32.00713
   32    30 S   HC   HA32    28     1.09490   107.35832   149.02660
   33    29 S   CT   _C20    36     1.88633   102.20507  -169.48019
   34    33 S   OM   _O36    37     1.31970   106.52627   -59.23430
   35    30 S   CO3  _C3_    29     1.52859   112.41278   -91.08422
   36    35 S   O2Z  _O31    30     1.26423   115.10224   -57.99435
   37    35 S   O2Z  _O32    31     1.26301   115.25200   122.18640
   38    33 S   CT   _C21    38     1.55960   112.43471    60.00568
   39    38 S   HC   _H6_    39     1.10240   108.43381   -77.44157
   40    38 S   CO4  _C22    40     1.53803   114.08227   167.09209
   41    40 S   O    _O34    41     1.23626   118.62226   169.86116
   42    38 S   C    _C23    88     1.53981   114.09520    41.83640
   43    42 S   O    _O35    89     1.22858   123.29276    40.36540
   44    40 S   CT   _C15    42     1.54088   119.54245   -10.18619
   45    42 S   N    _N4_    90     1.38667   113.00190  -141.11440
   46    45 S   H    _H15    91     1.01526   119.73304    -0.86841
   47    44 S   CM   _C14    43     1.52221   109.76391  -162.80107
   48    44 S   CT   _C16    64     1.53936   111.72316   -37.57483
   49    48 S   HC   _H3_    65     1.09537   107.40004   166.80016
   50    44 S   OH   _O37    86     1.42663   107.84525    81.01483
   51    50 S   HO   _H34    87     0.97371   107.68135    67.64239
   52    45 S   CT   _C24    92     1.44170   122.21410   179.47177
   53    52 S   HC   _H16    93     1.09402   109.88714   152.96038
   54    52 S   HC   _H17    94     1.09462   110.09944    30.91657
   55    47 S   CM   _C13    44     1.35179   123.65864   109.04223
   56    33 S   CT   _C19    66     1.57217   106.95015  -178.85945
   57    56 S   HC   _H5_    67     1.09811   104.98597   -45.16945
   58    47 S   OH   _O38    84     1.38771   112.60035   -73.21611
   59    58 S   HO   _H35    85     0.97318   108.96323  -179.66780
   60    52 S   NP   _N5_    95     1.49527   109.61810   -87.42494
   61    60 S   H    _H18    96     1.02898   106.09467    49.13139
   62    55 S   CO4  _C12    45     1.49743   120.21464   177.01436
   63    62 S   O    _O33    46     1.22717   121.92631    -6.12628
   64    56 S   NP   _N6_    68     1.55021   111.53990    65.22298
   65    64 S   H    _H27    69     1.02999   103.23888   -24.17913
   66    60 S   CT   _C25    97     1.51172   114.94034   -68.79905
   67    66 S   HC   _H19    98     1.09101   108.69705    82.16524
   68    66 S   HC   _H20    99     1.09532   108.16398   -38.29092
   69    62 S   CA   _C11    47     1.48594   118.44655   174.56808
   70    64 S   CT   _C29    70     1.50746   117.85241    90.73284
   71    70 S   HC   _H28    71     1.09285   109.18886    81.65241
   72    70 S   HC   _H29    72     1.09390   107.31801  -159.51709
   73    70 S   HC   _H30    73     1.08925   110.05108   -40.33031
   74    64 S   CT   _C30    74     1.50526   112.88753  -137.95010
   75    74 S   HC   _H31    75     1.09265   108.53290   -65.78200
   76    74 S   HC   _H32    76     1.09305   108.38394    55.14090
   77    74 S   HC   _H33    77     1.09337   108.09946   173.83674
   78    66 S   CT   _C26   100     1.51181   102.86261  -156.67535
   79    78 S   HC   _H21   101     1.09638   110.52777   -76.69160
   80    78 S   HC   _H22   102     1.09304   112.36170   161.98103
   81    69 S   CA   _C6_    48     1.41047   120.05801   -16.39085
   82    78 S   CT   _C27   103     1.51537   102.55983    41.08258
   83    82 S   HC   _H23   104     1.09682   110.02665    78.82512
   84    82 S   HC   _H24   105     1.09386   112.56471  -161.11677
   85    81 S   CA   _C7_    49     1.40892   117.97655  -178.13240
   86    85 S   HA   _H10    50     1.08583   121.56752   178.81172
   87    81 S   CT   _C5_    58     1.52812   120.16342     0.03956
   88    60 S   CT   _C28   106     1.51615   114.56028   166.49016
   89    88 S   HC   _H25   107     1.09431   109.68833    12.04027
   90    88 S   HC   _H26   108     1.09432   106.71677  -107.48535
   91    85 S   CA   _C8_    51     1.39582   121.57513    -1.05592
   92    91 S   HA   _H11    52     1.08644   119.95290  -179.68721
   93    55 S   CT   _C18    59     1.51333   123.24519    -1.61822
   94    93 S   HC   _H4_    60     1.10123   106.46558   104.51146
   95    87 S   CT   _C4_    78     1.54161   113.57632   160.51532
   96    95 S   HC   _H7_    79     1.09498   111.78444   177.40459
   97    95 S   HC   _H8_    80     1.09595   111.66180    61.62919
   98    95 S   HC   _H9_    81     1.09501   111.76942   -60.51498
   99    87 S   OH   _O40    82     1.43524   108.24287   -81.98027
  100    99 S   HO   _H37    83     0.97275   108.24600   -44.74734
  101    91 S   CA   _C9_    53     1.38704   120.01253     0.50745
  102   101 S   HA   _H12    54     1.08653   119.84012   179.94405
  103    93 S   CT   _C17    61     1.54279   111.76592   -11.71504
  104   103 S   HC   _H13    62     1.09650   108.71128   162.97002
  105   103 S   HC   _H14    63     1.09497   109.81768   -80.28856
  106    69 S   CA   _C10    55     1.40889   120.05353   164.68432
  107   106 S   OH   _O39    56     1.37012   123.67608    -1.43695
  108   107 S   HO   _H36    57     0.97336   108.99676     3.92141
  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  15   7  14   5   9   3  16   8   4  15  17
   8   5   1  12   5   4  15  15   5   3   1  13   8  11   4  10
   8  11   6   5  13   7   3   2   1   3   2   1   1   8   5   4
  17   5   4   3  10   4  13   2   1   1   5   3  10   5   6   3
   2   1   2   1   4   2   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    56    57    64    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44   103    48    49    56    57    64    65    70    74    42    43    45  
   38    39    40    48    56    57    64    42  
   36    37  
   37  
    0  
   39    40    41    44    47    48    56    57    64    50    42    43    45    46    52  
   40    41    44    56    42    43    45  
   41    44    47    55   103    48    49    56    58    50    51    42    43    45  
   44    47    48    50    42  
   43    45    46    52    53    54    60    44    56  
   45    46    52  
   47    55    62    93   103   104   105    48    49    56    57    64    58    59    50    51  
   46    52    53    54    60    61    66    88  
   52    53    54    60  
   55    62    63    69    87    93    94   103    48    49    56    58    59    50    51  
   49    56    57    64    65    70    74    58    50    51    55    87    93    94   103   104   105  
   56    57    64    50    93   103   104   105  
   51    55    56    58   103  
    0  
   53    54    60    61    66    67    68    78    82    88    89    90  
   54    60    61    66    88  
   60    61    66    88  
   62    63    69    81   106    87    93    94   103   104   105    95    99    58    59  
   57    64    65    70    71    72    73    74    75    76    77    93   103   104   105  
   64    65    70    74   103  
   59    62    93  
    0  
   61    66    67    68    78    79    80    82    83    84    88    89    90  
   66    67    68    78    82    88    89    90  
   63    69    81    85   101   106   107    87    93    94   103  
   69    81   106    93  
   65    70    71    72    73    74    75    76    77   103  
   70    71    72    73    74    75    76    77  
   67    68    78    79    80    82    83    84    88    89    90  
   68    78    79    80    82    88  
   78    79    80    82    88  
   81    85    86    91   101   102   106   107   108    87    93    95    99  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    82    83    84    88    89    90  
   80    82    83    84    88  
   82    83    84    88  
   85    86    91    92   101   106   107    87    93    94   103    95    96    97    98    99   100  
   83    84    88    89    90  
   84    88    89    90  
   88    89    90  
   86    91    92   101   102   106    87    93    95    99  
   91    92   101    87  
   93    94   103   104   105    95    96    97    98    99   100    91   106  
   89    90  
   90  
    0  
   92   101   102   106   107  
  101   102   106  
   94   103   104   105    95    96    97    98    99   100  
  103   104   105    95    99  
   96    97    98    99   100   103  
   97    98    99  
   98    99  
   99  
  100   103  
    0  
  102   106   107   108  
  106   107  
  104   105  
  105  
    0  
  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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.272500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   60   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   61   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
  107   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  108   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   317.000  1.522
   44    47   317.000  1.510
   44    48   268.000  1.529
   44    50   320.000  1.410
   47    55   549.000  1.340
   47    58   510.000  1.338
   55    62   320.000  1.462
   55    93   317.000  1.510
   62    63   570.000  1.229
   62    69   310.000  1.470
   69    81   469.000  1.400
   69   106   469.000  1.400
   81    85   469.000  1.400
   81    87   317.000  1.510
   85    86   367.000  1.080
   85    91   469.000  1.400
   91    92   367.000  1.080
   91   101   469.000  1.400
  101   102   367.000  1.080
  101   106   469.000  1.400
  106   107   450.000  1.364
  107   108   553.000  0.945
   87    93   268.000  1.529
   87    95   268.000  1.529
   87    99   320.000  1.410
   93    94   340.000  1.090
   93   103   268.000  1.529
  103   104   340.000  1.090
  103   105   340.000  1.090
  103    48   268.000  1.529
   48    49   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    64   367.000  1.471
   64    65   434.000  1.010
   64    70   367.000  1.471
   64    74   367.000  1.471
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   553.000  0.945
   58    59   553.000  0.945
   50    51   553.000  0.945
   42    43   570.000  1.229
   42    45   490.000  1.335
   45    46   434.000  1.010
   45    52   337.000  1.449
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   367.000  1.471
   60    61   434.000  1.010
   60    66   367.000  1.471
   60    88   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    88   268.000  1.529
   88    89   340.000  1.090
   88    90   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    56    48    58.35000  112.70000
   33    56    57    37.50000  110.70000
   33    56    64    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    70.00000  116.00000
   38    42    43    80.00000  120.40000
   38    42    45    70.00000  116.60000
   40    38    39    35.00000  109.50000
   40    44    47    70.00000  109.06800
   40    44    48    63.00000  111.10000
   40    44    50    90.00000  109.61100
   44    40    41    80.00000  120.40000
   44    47    55    70.00000  124.00000
   44    47    58    90.00000  109.34000
   44    48   103    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    56    58.35000  112.70000
   44    50    51    55.00000  108.50000
   47    55    62    65.00000  118.96000
   47    55    93    70.00000  124.00000
   47    58    59    70.00000  107.45700
   55    62    63    80.00000  123.72100
   55    62    69    65.00000  117.02400
   55    93    87    70.00000  112.02700
   55    93    94    35.00000  109.50000
   55    93   103    70.00000  112.02700
   62    69    81    60.00000  119.52600
   62    69   106    60.00000  119.52600
   69    62    63    75.00000  123.78400
   69    81    85    63.00000  120.00000
   69    81    87    70.00000  120.00000
   69   106   101    63.00000  120.00000
   69   106   107    70.00000  120.00000
   81    85    86    35.00000  120.00000
   81    85    91    63.00000  120.00000
   81    87    93    70.00000  112.17500
   81    87    95    70.00000  112.17500
   81    87    99    90.00000  112.51600
   85    91    92    35.00000  120.00000
   85    91   101    63.00000  120.00000
   91    85    86    35.00000  120.00000
   91   101   102    35.00000  120.00000
   91   101   106    63.00000  120.00000
  101    91    92    35.00000  120.00000
  101   106   107    70.00000  120.00000
  106    69    81    63.00000  120.00000
  106   101   102    35.00000  120.00000
  106   107   108    35.00000  113.00000
   87    81    85    70.00000  120.00000
   87    93    94    37.50000  110.70000
   87    93   103    58.35000  112.70000
   87    95    96    37.50000  110.70000
   87    95    97    37.50000  110.70000
   87    95    98    37.50000  110.70000
   87    99   100    55.00000  108.50000
   93    55    62    65.00000  116.34900
   93   103   104    37.50000  110.70000
   93   103   105    37.50000  110.70000
   93   103    48    58.35000  112.70000
  103    93    94    37.50000  110.70000
  103    48    49    37.50000  110.70000
  103    48    56    58.35000  112.70000
  105   103   104    33.00000  107.80000
   48    44    47    70.00000  112.02700
   48   103   104    37.50000  110.70000
   48   103   105    37.50000  110.70000
   48    56    57    37.50000  110.70000
   48    56    64    80.00000  111.20000
   56    33    34    50.00000  109.50000
   56    33    38    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    64    65    35.00000  109.50000
   56    64    70    75.00000  113.01200
   56    64    74    75.00000  113.01200
   64    56    57    35.00000  109.50000
   64    70    71    35.00000  109.50000
   64    70    72    35.00000  109.50000
   64    70    73    35.00000  109.50000
   64    74    75    35.00000  109.50000
   64    74    76    35.00000  109.50000
   64    74    77    35.00000  109.50000
   70    64    65    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    64    65    35.00000  109.50000
   74    64    70    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   95    87    93    58.35000  112.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    87    93    50.00000  109.50000
   99    87    95    50.00000  109.50000
   58    47    55    80.00000  121.38400
   50    44    47    90.00000  110.39200
   50    44    48    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  107.85200
   42    45    46    35.00000  119.80000
   42    45    52    50.00000  121.90000
   45    42    43    80.00000  122.90000
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    60    80.00000  116.76000
   52    45    46    38.00000  118.40000
   52    60    61    35.00000  109.50000
   52    60    66    75.00000  113.01200
   52    60    88    75.00000  113.01200
   54    52    53    33.00000  107.80000
   60    52    53    35.00000  109.50000
   60    52    54    35.00000  109.50000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    78    80.00000  111.20000
   60    88    82    80.00000  111.20000
   60    88    89    35.00000  109.50000
   60    88    90    35.00000  109.50000
   66    60    61    35.00000  109.50000
   66    78    79    37.50000  110.70000
   66    78    80    37.50000  110.70000
   66    78    82    58.35000  112.70000
   68    66    67    33.00000  107.80000
   78    66    67    37.50000  110.70000
   78    66    68    37.50000  110.70000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    88    58.35000  112.70000
   80    78    79    33.00000  107.80000
   82    78    79    37.50000  110.70000
   82    78    80    37.50000  110.70000
   82    88    89    37.50000  110.70000
   82    88    90    37.50000  110.70000
   84    82    83    33.00000  107.80000
   88    60    61    35.00000  109.50000
   88    60    66    75.00000  113.01200
   88    82    83    37.50000  110.70000
   88    82    84    37.50000  110.70000
   90    88    89    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
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
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   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    60   0.00000  1.0 1.0
   52    60    66    67   0.15000  1.0 3.0
   52    60    66    68   0.15000  1.0 3.0
   52    60    66    78   0.47100  1.0 1.0
   52    60    88    82   0.47100  1.0 1.0
   52    60    88    89   0.15000  1.0 3.0
   52    60    88    90   0.15000  1.0 3.0
   53    52    60    61   0.13050  1.0 3.0
   53    52    60    66   0.15000  1.0 3.0
   53    52    60    88   0.15000  1.0 3.0
   54    52    60    61   0.13050  1.0 3.0
   54    52    60    66   0.15000  1.0 3.0
   54    52    60    88   0.15000  1.0 3.0
   60    66    78    79   0.19200  1.0 3.0
   60    66    78    80   0.19200  1.0 3.0
   60    66   -78    82   1.36600  1.0 1.0
   60    66   -78    82  -0.11450 -1.0 2.0
   60    66   -78    82   0.24250  1.0 3.0
   61    60    66    67   0.13050  1.0 3.0
   61    60    66    68   0.13050  1.0 3.0
   61    60    66    78   0.17350  1.0 3.0
   61    60    88    82   0.17350  1.0 3.0
   61    60    88    89   0.13050  1.0 3.0
   61    60    88    90   0.13050  1.0 3.0
   66    60   -88    82   0.47100  1.0 1.0
   66    60    88    89   0.15000  1.0 3.0
   66    60    88    90   0.15000  1.0 3.0
   66    78    82    83   0.15000  1.0 3.0
   66    78    82    84   0.15000  1.0 3.0
   66    78   -82    88   0.56750  1.0 1.0
   66    78   -82    88  -0.07550 -1.0 2.0
   66    78   -82    88   0.20000  1.0 3.0
   67    66    78    79   0.15000  1.0 3.0
   67    66    78    80   0.15000  1.0 3.0
   67    66    78    82   0.15000  1.0 3.0
   68    66    78    79   0.15000  1.0 3.0
   68    66    78    80   0.15000  1.0 3.0
   68    66    78    82   0.15000  1.0 3.0
   78    82   -88    60   1.36600  1.0 1.0
   78    82   -88    60  -0.11450 -1.0 2.0
   78    82   -88    60   0.24250  1.0 3.0
   78    82    88    89   0.15000  1.0 3.0
   78    82    88    90   0.15000  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    84   0.15000  1.0 3.0
   79    78    82    88   0.15000  1.0 3.0
   80    78    82    83   0.15000  1.0 3.0
   80    78    82    84   0.15000  1.0 3.0
   80    78    82    88   0.15000  1.0 3.0
   83    82    88    60   0.19200  1.0 3.0
   83    82    88    89   0.15000  1.0 3.0
   83    82    88    90   0.15000  1.0 3.0
   84    82    88    60   0.19200  1.0 3.0
   84    82    88    89   0.15000  1.0 3.0
   84    82    88    90   0.15000  1.0 3.0
   88    60    66    67   0.15000  1.0 3.0
   88    60    66    68   0.15000  1.0 3.0
   88    60   -66    78   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   44    58    47    55   1.10000 -1.0 2.0
   62    93    55    47   1.10000 -1.0 2.0
   55    69    62    63  10.50000 -1.0 2.0
   81   106    69    62   4.00000 -1.0 2.0
   85    87    81    69   4.00000 -1.0 2.0
   91    86    85    81   1.10000 -1.0 2.0
  101    92    91    85   1.10000 -1.0 2.0
  106   102   101    91   1.10000 -1.0 2.0
  101   107   106    69   4.00000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   46    42    45    52   1.00000 -1.0 2.0
END
