* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    218    360     651
    1     0 S   NP   _N1_     1    28.38255    92.44381   -21.41183
    2     1 S   H    _HN1     2     1.02795    93.99352  -104.58117
    3     1 S   H    _H1_     3     1.02950    95.16295     4.22332
    4     1 S   H    _H2_     4     1.02823    23.08285   127.14177
    5     1 S   CT   _CA1     5     1.50140   133.85524   129.19877
    6     5 S   HC   _HA1     6     1.09573   105.17596    58.49815
    7     5 S   CO3  _C1_     7     1.53749   112.26368   -61.68252
    8     7 S   O2Z  _O11     8     1.26377   115.01495   -45.88468
    9     7 S   O2Z  _O12     9     1.26226   114.93491   132.88348
   10     5 S   CT   _CB1    10     1.53054   107.37780   176.39837
   11    10 S   HC   HB11    11     1.09836   109.36145   -49.32568
   12    10 S   HC   HB12    12     1.09813   110.47127    67.26115
   13    10 S   CT   _CG1    13     1.53014   112.65837  -170.27637
   14    13 S   HC   HG11    14     1.09608   110.60292   -65.55529
   15    13 S   HC   HG12    15     1.09661   109.84153    53.71105
   16    13 S   C    _CD1    16     1.51865   112.05150   174.13185
   17    16 S   O    _OE1    17     1.22755   123.20929     7.17378
   18    16 S   N    _N2_    18     1.38612   111.79090  -173.18508
   19    18 S   H    _HN2    19     1.01596   119.03017     1.57644
   20    18 S   CT1  _CA2    20     1.46350   123.41713   179.63955
   21    20 S   HC   _HA2    21     1.09737   109.32570    -0.75381
   22    20 S   C    _C2_    22     1.53439   108.85584  -116.35603
   23    22 S   O    _O2_    23     1.23056   122.25580  -149.71930
   24    20 S   CT   _CB2    32     1.53432   111.29420   121.08606
   25    24 S   HC   HB21    33     1.09461   109.23505    57.40184
   26    24 S   HC   HB22    34     1.09495   110.71602   176.43108
   27    22 S   N    _N3_    24     1.38330   113.66219    37.86970
   28    27 S   H    _HN3    25     1.01606   119.49987    -3.76494
   29    24 S   S    _SG2    35     1.82737   110.75794   -63.75864
   30    27 S   CT   _CA3    26     1.45280   123.20825   176.96333
   31    30 S   HC   HA31    27     1.09550   107.53383   -63.87266
   32    30 S   HC   HA32    28     1.09557   107.95069    52.55101
   33    29 S   CT   _C15    36     1.83382   100.86791   173.05935
   34    33 S   HC   _H3_    37     1.09637   108.26627    57.55478
   35    30 S   CO3  _C3_    29     1.52953   114.09789   174.52958
   36    35 S   O2Z  _O31    30     1.26373   116.06621    -0.62338
   37    35 S   O2Z  _O32    31     1.26427   114.41316   179.43942
   38    33 S   CM   _C4_    38     1.49543   110.84077   -61.58102
   39    38 S   HC   _H36    39     1.09048   115.10132    90.29499
   40    38 S   CMA  _C7_    40     1.35100   126.56454   -95.85669
   41    40 S   OM   _O29    41     1.26351   126.16627  -171.90032
   42    40 S   CT   _C23    42     1.59928   119.72187     6.55425
   43    42 S   CT   _C16    43     1.61493   110.56493   108.64472
   44    43 S   HC   _H50    44     1.10176   106.29132   -53.34600
   45    42 S   C3T  _C25    94     1.57054   111.05245   -11.37480
   46    42 S   CT   _C27   104     1.56528   109.12741  -128.66697
   47    46 S   HC   _H60   105     1.09422   112.28824  -179.32711
   48    46 S   HC   _H61   106     1.09671   110.63250    61.43489
   49    46 S   HC   _H62   107     1.09412   113.24349   -58.81013
   50    43 S   CT   _C11    45     1.55843   114.38177    62.75491
   51    50 S   HC   _H41    46     1.09385   110.35593    49.20774
   52    50 S   HC   _H42    47     1.09398   109.70007   -68.04325
   53    33 S   CT   _C21    95     1.53321   110.65557   176.49167
   54    53 S   HC   _H55    96     1.09753   109.72249   -53.03986
   55    81 S   O3T  _O34    99     1.42123   116.22155   -50.52696
   56    50 S   CT   _C13    48     1.53607   115.91172   172.67608
   57    56 S   HC   _H45    49     1.09795   108.63129    69.55781
   58    56 S   HC   _H46    50     1.09343   108.02457  -175.69016
   59    53 S   OH   _O35    97     1.43113   110.68757  -169.00417
   60    59 S   HO   _H72    98     0.97176   107.67350    55.10699
   61    56 S   CT   _C24    51     1.53237   112.17106   -52.53016
   62    61 S   CT   _C17    52     1.54329   105.45131    58.23484
   63    62 S   HC   _H51    53     1.10357   107.96237    54.84237
   64    61 S   CT   _C28   100     1.54573   110.69299   -65.27846
   65    64 S   HC   _H63   101     1.09458   112.33911  -177.56394
   66    64 S   HC   _H64   102     1.09331   112.73057    61.78200
   67    64 S   HC   _H65   103     1.09482   110.91651   -57.67386
   68    62 S   CT   _C10    54     1.52361   103.92270   167.04821
   69    68 S   HC   _H39    55     1.09487   112.06368  -154.45114
   70    68 S   HC   _H40    56     1.09585   111.51241    84.87930
   71    43 S   CT   _C18    87     1.56555   112.37893  -169.07703
   72    71 S   HC   _H52    88     1.09489   109.40665   -54.30904
   73    68 S   CT   _C12    57     1.53286   104.21643   -34.22626
   74    73 S   HC   _H43    58     1.09604   109.29041   128.99472
   75    73 S   HC   _H44    59     1.09569   110.69072  -112.81689
   76    71 S   CT   _C14    89     1.53157   110.69613    64.68465
   77    76 S   HC   _H47    90     1.09766   109.70096    73.37279
   78    76 S   HC   _H48    91     1.09635   110.02264  -169.80605
   79    61 S   CT   _C19    60     1.56007   115.56598   167.15686
   80    79 S   HC   _H53    61     1.09803   106.93467   -40.66187
   81    76 S   C3T  _C20    92     1.47777   114.09648   -47.43356
   82    81 S   HC   _H54    93     1.08253   111.99774   170.97596
   83    79 S   CT   _C31    62     1.55395   119.66533    81.44287
   84    83 S   HC   _H71    63     1.09853   108.75238    58.93316
   85    83 S   CT   _C22    64     1.55807   112.26329   175.88953
   86    85 S   HC   _H56    65     1.09752   108.63223   -58.60505
   87    83 S   CT   _C29    83     1.53524   112.39456   -58.28223
   88    87 S   HC   _H66    84     1.09466   111.56835   -48.15519
   89    87 S   HC   _H67    85     1.09469   111.83243  -169.13992
   90    87 S   HC   _H68    86     1.09277   110.95458    72.67626
   91    85 S   CT   _C9_    66     1.52329   114.62041    64.78613
   92    91 S   HC   _H37    67     1.09561   112.05832    55.19935
   93    91 S   HC   _H38    68     1.09442   109.55490   -64.72458
   94    91 S   CM   _C6_    69     1.50496   109.32870   174.92001
   95    94 S   CM   _C5_    70     1.34865   120.64974   -29.25315
   96    94 S   CT   _C26    79     1.50399   114.28310   151.53636
   97    96 S   HC   _H57    80     1.09480   110.13112   -69.61587
   98    96 S   HC   _H58    81     1.09239   113.48819   168.97581
   99    96 S   HC   _H59    82     1.09567   109.96034    49.64431
  100    95 S   CO4  _C8_    71     1.49240   119.48101    -4.15746
  101   100 S   O    _O30    72     1.22681   121.61679  -165.75707
  102    95 S   CT   _C30    74     1.50392   125.13712   177.28957
  103   102 S   HC   _H69    75     1.09379   112.80459   -25.09288
  104   102 S   HC   _H70    76     1.09550   110.82451  -143.55892
  105    85 S   OS   _O33    73     1.44500   108.25770  -173.15224
  106   102 S   OH   _O36    77     1.42143   110.32632    96.61062
  107   106 S   HO   _H73    78     0.97242   107.63688   -57.92351
  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   9   5   4   3
  13   7   2   1   1  10   4  14   4  21  24  10  16   8   2   1
   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9   9
   3   2   1  11   6   5   8   4   8   4   3   4   3   2  11   4
   1   1  13   8  14   7   5   2   1   1  11   5   4  12  12   5
   2   1   1   6   2   5   3   2   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    53    54    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    81    45    53    54    59    60    55  
   38    39    40    45    53    54    59  
   36    37  
   37  
    0  
   39    40    41    42    43    45    53    54    59    46  
   40    41    42    53  
   41    42    43    44    50    71    81    45    53    55    46    47    48    49  
   42    43    45    46  
   43    44    50    51    52    56    62    71    72    76    81    82    45    53    54    59    55    46    47    48    49  
   44    50    51    52    56    57    58    61    62    63    68    71    72    76    77    78    81    45    53    55    46    47    48    49  
   50    51    52    56    62    71    72    76    45    46  
   53    54    59    60    55    46    47    48    49    50    71    76    77    78    81    82  
   47    48    49    50    53    55    71    81  
   48    49  
   49  
    0  
   51    52    56    57    58    61    62    79    71    72    76    64  
   52    56    57    58    61    71  
   56    57    58    61    71  
   54    59    60    55    76    81    82  
   59    60    55    81  
   59    71    76    77    78    81    82  
   57    58    61    62    63    68    73    79    80    83    71    64    65    66    67  
   58    61    62    79    64  
   61    62    79    64  
   60    81  
    0  
   62    63    68    69    70    73    74    75    79    80    83    84    85    87    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    80    83    71    72    76    77    78    81    64    65    66    67  
   68    69    70    73    79    71    72    76    64  
   65    66    67    68    71    73    79    80    83  
   66    67    79  
   67    79  
   79  
   69    70    73    74    75    79    80    83    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    81    82    73    79  
   76    77    78    81  
   74    75    79    80    83    84    85    87  
   75    79    80    83  
   79    80    83  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    86    91   105    87    88    89    90  
   83    84    85    87  
   82  
    0  
   84    85    86    91    92    93    94   100   105    87    88    89    90  
   85    86    91   105    87    88    89    90  
   86    91    92    93    94    95   100   101   105    96    87    88    89    90  
   91    92    93    94   100   105    87  
   88    89    90    91   105  
   89    90  
   90  
    0  
   92    93    94    95   100   105   102    96    97    98    99  
   93    94    95   105    96  
   94    95   105    96  
   95   100   101   105   102   103   104   106    96    97    98    99  
  100   101   105   102   103   104   106   107    96    97    98    99  
   97    98    99   100   102  
   98    99  
   99  
    0  
  101   105   102   103   104   106  
  105   102  
  103   104   106   107   105  
  104   106   107  
  106   107  
    0  
  107  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   275.000  1.510
   42    46   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    71   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   268.000  1.529
   61    79   268.000  1.529
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   268.000  1.529
   85    86   340.000  1.090
   85    91   268.000  1.529
   85   105   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   317.000  1.510
   94    95   549.000  1.340
   94    96   317.000  1.510
   95   100   320.000  1.462
   95   102   317.000  1.510
  100   101   570.000  1.229
  100   105   214.000  1.327
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   106   320.000  1.410
  106   107   553.000  0.945
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   275.000  1.510
   81    82   340.000  1.088
   81    45   260.000  1.509
   81    55   335.000  1.432
   45    53   275.000  1.510
   45    55   335.000  1.432
   53    54   340.000  1.090
   53    59   320.000  1.410
   59    60   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    53    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    53    45    70.00000  112.37300
   33    53    54    37.50000  110.70000
   33    53    59    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    43    71    58.35000  112.70000
   42    45    81    60.00000  120.94000
   42    45    53    58.35000  112.70000
   42    45    55    80.00000  116.47100
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    71    62    58.35000  112.70000
   43    71    72    37.50000  110.70000
   43    71    76    58.35000  112.70000
   50    43    44    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    61    62    58.35000  112.70000
   56    61    79    58.35000  112.70000
   56    61    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    79    73    58.35000  112.70000
   61    79    80    37.50000  110.70000
   61    79    83    58.35000  112.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    61    62    58.35000  112.70000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    58.35000  112.70000
   79    83    87    58.35000  112.70000
   83    79    80    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    91    58.35000  112.70000
   83    85   105    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    70.00000  112.02700
   85   105   100    83.00000  116.90000
   91    85    86    37.50000  110.70000
   91    94    95    70.00000  124.00000
   91    94    96    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95   100    65.00000  118.96000
   94    95   102    70.00000  124.00000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   95   100   101    80.00000  123.72100
   95   100   105    90.00000  111.29400
   95   102   103    35.00000  109.50000
   95   102   104    35.00000  109.50000
   95   102   106    90.00000  110.39200
  105    85    86    35.00000  109.50000
  105    85    91    50.00000  109.50000
  105   100   101    83.00000  123.40000
  102    95   100    65.00000  116.34900
  102   106   107    55.00000  108.50000
  104   102   103    33.00000  107.80000
  106   102   103    35.00000  109.50000
  106   102   104    35.00000  109.50000
   96    94    95    70.00000  124.00000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   87    83    84    37.50000  110.70000
   87    83    85    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   71    43    44    37.50000  110.70000
   71    43    50    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    70.00000  112.37300
   76    71    72    37.50000  110.70000
   76    81    82    40.00000  115.04500
   76    81    45    60.00000  120.94000
   76    81    55    80.00000  116.47100
   78    76    77    33.00000  107.80000
   81    76    77    45.00000  109.38400
   81    76    78    45.00000  109.38400
   81    45    53    60.00000  120.94000
   81    45    55    15.00000   60.43100
   81    55    45    15.00000   59.14900
   45    42    43    70.00000  112.37300
   45    81    82    37.50000  117.20000
   45    53    54    45.00000  109.38400
   45    53    59    50.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    59    60    55.00000  108.50000
   59    53    54    35.00000  109.50000
   55    81    82    50.00000  114.27700
   55    81    45    15.00000   60.43100
   55    45    53    80.00000  116.47100
   64    61    62    58.35000  112.70000
   64    61    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    42    45    70.00000  112.37300
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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
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   94    95   102   106   0.67800  1.0 1.0
   94    95   102   106   0.47050 -1.0 2.0
   94    95   102   106  -0.62500  1.0 3.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.00000  1.0 1.0
   95    94    96    99   0.00000  1.0 1.0
   95   100  -105    85   2.00000 -1.0 2.0
   95   102   106   107  -0.07800  1.0 1.0
   95   102   106   107  -0.21500 -1.0 2.0
   95   102   106   107  -0.03150  1.0 3.0
  100    95   102   103   0.15000  1.0 3.0
  100    95   102   104   0.15000  1.0 3.0
  100    95   102   106   0.09700  1.0 1.0
  100    95   102   106   0.15600 -1.0 2.0
  100    95   102   106  -0.50800  1.0 3.0
  101   100   105    85   3.00000 -1.0 2.0
  105    85    91    92   0.23400  1.0 3.0
  105    85    91    93   0.23400  1.0 3.0
  105    85   -91    94   0.61850  1.0 1.0
  105    85   -91    94  -0.22750 -1.0 2.0
  105    85   -91    94   0.15300  1.0 3.0
  102    95   100   101  -0.64400  1.0 1.0
  102    95   100   101   0.26850 -1.0 2.0
  102    95   100   105  -0.15000  1.0 1.0
  102    95   100   105   0.89550 -1.0 2.0
  102    95   100   105  -0.06900  1.0 3.0
  103   102   106   107   0.19450  1.0 3.0
  104   102   106   107   0.19450  1.0 3.0
   96    94    95   100   7.00000 -1.0 2.0
   96    94    95   102   7.00000 -1.0 2.0
   87    83    85    86   0.15000  1.0 3.0
   87    83    85    91   0.56750  1.0 1.0
   87    83    85    91  -0.07550 -1.0 2.0
   87    83    85    91   0.20000  1.0 3.0
   87    83    85   105   0.62750  1.0 1.0
   87    83    85   105  -0.30950 -1.0 2.0
   87    83    85   105   0.27300  1.0 3.0
   71    43    50    51   0.15000  1.0 3.0
   71    43    50    52   0.15000  1.0 3.0
   71    43   -50    56   0.56750  1.0 1.0
   71    43   -50    56  -0.07550 -1.0 2.0
   71    43   -50    56   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76    81    82   0.15000  1.0 3.0
   71    76    81    45   0.07850  1.0 1.0
   71    76    81    45  -0.03950 -1.0 2.0
   71    76    81    45   0.67350  1.0 3.0
   71    76    81    55   0.02550  1.0 1.0
   71    76    81    55  -0.02600 -1.0 2.0
   71    76    81    55   1.20400  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   76    81   -45    42   0.56750  1.0 1.0
   76    81   -45    42  -0.07550 -1.0 2.0
   76    81   -45    42   0.20000  1.0 3.0
   76    81    45    53   0.56750  1.0 1.0
   76    81    45    53  -0.07550 -1.0 2.0
   76    81    45    53   0.20000  1.0 3.0
   76    81   -45    55   0.02550  1.0 1.0
   76    81   -45    55  -0.02600 -1.0 2.0
   76    81   -45    55   1.20400  1.0 3.0
   76    81   -55    45   0.06250  1.0 1.0
   76    81   -55    45  -0.01100 -1.0 2.0
   76    81   -55    45   0.28050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    45   0.15000  1.0 3.0
   77    76    81    55   0.23400  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    45   0.15000  1.0 3.0
   78    76    81    55   0.23400  1.0 3.0
   81    45    53    33   0.07850  1.0 1.0
   81    45    53    33  -0.03950 -1.0 2.0
   81    45    53    33   0.67350  1.0 3.0
   81    45    53    54   0.15000  1.0 3.0
   81    45    53    59   0.86500  1.0 1.0
   81    45    53    59  -0.17500 -1.0 2.0
   81    45    53    59   0.20800  1.0 3.0
   82    81    45    42   0.15000  1.0 3.0
   82    81    45    53   0.15000  1.0 3.0
   82    81   -45    55   0.23400  1.0 3.0
   82    81   -55    45   0.36800  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    50   0.47050  1.0 1.0
   45    42    43    50   0.03900 -1.0 2.0
   45    42    43    50   0.20100  1.0 3.0
   45    42   -43    71   0.47050  1.0 1.0
   45    42   -43    71   0.03900 -1.0 2.0
   45    42   -43    71   0.20100  1.0 3.0
   45    42    46    47   0.15000  1.0 3.0
   45    42    46    48   0.15000  1.0 3.0
   45    42    46    49   0.15000  1.0 3.0
   45    53    59    60  -0.11600  1.0 1.0
   45    53    59    60  -0.09450 -1.0 2.0
   45    53    59    60   0.21250  1.0 3.0
   53    33    38    39   0.00000  1.0 1.0
   53    33   -38    40   0.09850  1.0 1.0
   53    33   -38    40   0.15250 -1.0 2.0
   53    33   -38    40  -0.50650  1.0 3.0
   53    45   -55    81   0.06250  1.0 1.0
   53    45   -55    81  -0.01100 -1.0 2.0
   53    45   -55    81   0.28050  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   55    81   -45    42   0.02550  1.0 1.0
   55    81   -45    42  -0.02600 -1.0 2.0
   55    81   -45    42   1.20400  1.0 3.0
   55    81   -45    53   0.02550  1.0 1.0
   55    81   -45    53  -0.02600 -1.0 2.0
   55    81   -45    53   1.20400  1.0 3.0
   55    45    53    33   0.02550  1.0 1.0
   55    45    53    33  -0.02600 -1.0 2.0
   55    45    53    33   1.20400  1.0 3.0
   55    45    53    54   0.23400  1.0 3.0
   55    45    53    59   3.69350  1.0 1.0
   55    45    53    59  -1.82950 -1.0 2.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    79    73   0.56750  1.0 1.0
   64    61    79    73  -0.07550 -1.0 2.0
   64    61    79    73   0.20000  1.0 3.0
   64    61    79    80   0.15000  1.0 3.0
   64    61    79    83   0.56750  1.0 1.0
   64    61    79    83  -0.07550 -1.0 2.0
   64    61    79    83   0.20000  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    43    71   0.56750  1.0 1.0
   46    42    43    71  -0.07550 -1.0 2.0
   46    42    43    71   0.20000  1.0 3.0
   46    42    45    81   0.07850  1.0 1.0
   46    42    45    81  -0.03950 -1.0 2.0
   46    42    45    81   0.67350  1.0 3.0
   46    42    45    53   0.56750  1.0 1.0
   46    42    45    53  -0.07550 -1.0 2.0
   46    42    45    53   0.20000  1.0 3.0
   46    42    45    55   0.02550  1.0 1.0
   46    42    45    55  -0.02600 -1.0 2.0
   46    42    45    55   1.20400  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   91    96    94    95   1.10000 -1.0 2.0
  100   102    95    94   1.10000 -1.0 2.0
   95   105   100   101  10.50000 -1.0 2.0
END
