* LIGAND DATABASE FILE (OPLS2005)
*
001     108   112    215    356     654
    1     0 S   NP   _N1_     1    27.97796    95.65134   -23.10923
    2     1 S   H    _HN1     2     1.02957    82.31841    -5.68293
    3     1 S   H    _H1_     3     1.02835    29.73242   140.68033
    4     1 S   H    _H2_     4     1.02776   101.30588  -112.95258
    5     1 S   CT   _CA1     5     1.50137   136.82113   106.02776
    6     5 S   HC   _HA1     6     1.09574   105.20502    76.72128
    7     5 S   CO3  _C1_     7     1.53784   112.36478   -43.45586
    8     7 S   O2Z  _O11     8     1.26368   114.99046   -43.49182
    9     7 S   O2Z  _O12     9     1.26234   114.93552   135.56299
   10     5 S   CT   _CB1    10     1.53092   107.41841  -165.36541
   11    10 S   HC   HB11    11     1.09828   109.32714   -50.32660
   12    10 S   HC   HB12    12     1.09815   110.42983    66.23206
   13    10 S   CT   _CG1    13     1.53019   112.67587  -171.38641
   14    13 S   HC   HG11    14     1.09593   110.50489   -64.74379
   15    13 S   HC   HG12    15     1.09658   109.90382    54.46097
   16    13 S   C    _CD1    16     1.51843   112.30354   174.83184
   17    16 S   O    _OE1    17     1.22753   123.28967     1.31581
   18    16 S   N    _N2_    18     1.38559   111.72348  -178.75510
   19    18 S   H    _HN2    19     1.01563   119.02664     4.41836
   20    18 S   CT1  _CA2    20     1.45827   122.87918   177.71518
   21    20 S   HC   _HA2    21     1.09743   108.94722    23.44314
   22    20 S   C    _C2_    22     1.52953   107.10592   -93.45476
   23    22 S   O    _O2_    23     1.22966   123.08611   -26.01368
   24    20 S   CT   _CB2    32     1.53401   112.27252   146.58536
   25    24 S   HC   HB21    33     1.09464   109.54688    53.35119
   26    24 S   HC   HB22    34     1.09134   109.37808   171.60752
   27    22 S   N    _N3_    24     1.38510   112.49629   156.71014
   28    27 S   H    _HN3    25     1.01658   120.32438    -2.00115
   29    24 S   S    _SG2    35     1.82877   110.45491   -66.94405
   30    27 S   CT   _CA3    26     1.45345   122.54544   178.54815
   31    30 S   HC   HA31    27     1.09565   107.84752   -55.18656
   32    30 S   HC   HA32    28     1.09561   107.58304    61.16161
   33    29 S   CT   _C25    36     1.90799   103.77655  -169.07549
   34    30 S   CO3  _C3_    29     1.52903   114.29125  -177.07357
   35    34 S   O2Z  _O31    30     1.26344   116.06223     1.07829
   36    34 S   O2Z  _O32    31     1.26438   114.41257  -178.97550
   37    33 S   CT   _C16    37     1.57495   107.96322    84.34043
   38    37 S   HC   _H50    38     1.09379   110.39193  -171.44186
   39    33 S   CT   _C21    95     1.56025   111.04373   -35.14186
   40    39 S   HC   _H55    96     1.09570   110.38368    65.79950
   41    37 S   CM   _C5_    39     1.49741   114.07362    69.46150
   42    41 S   HC   _H37    40     1.08693   117.99519  -159.17307
   43    39 S   OH   _O35    97     1.42777   111.34501   -52.49128
   44    43 S   HO   _H73    98     0.97242   107.83437   175.91313
   45    37 S   OH   _O34   107     1.42565   111.58475   -55.38378
   46    45 S   HO   _H72   108     0.97250   108.25644  -177.40565
   47    41 S   CM   _C4_    41     1.33444   123.68329    22.19035
   48    47 S   HC   _H36    42     1.08406   121.35729  -179.83807
   49    47 S   CO4  _C8_    43     1.48231   121.06803     0.81517
   50    49 S   O    _O29    44     1.23241   117.43295  -176.71163
   51    33 S   CT   _C23    45     1.60132   108.56875  -157.62322
   52    51 S   CT   _C17    46     1.58015   109.56515   176.03627
   53    52 S   HC   _H51    47     1.09877   107.45946    61.97010
   54    51 S   CT   _C27   103     1.55723   113.37947    52.99811
   55    54 S   HC   _H60   104     1.09093   113.18611    64.38101
   56    54 S   HC   _H61   105     1.09399   112.45829   -58.18467
   57    54 S   HC   _H62   106     1.09536   111.81336  -175.57871
   58    52 S   CT   _C12    48     1.55270   114.54849   177.02415
   59    58 S   HC   _H42    49     1.09348   110.83315    57.06702
   60    58 S   HC   _H43    50     1.09578   109.81183   -60.15613
   61    58 S   CT   _C14    51     1.53992   113.46852   179.46259
   62    61 S   HC   _H46    52     1.09764   108.69947    67.57704
   63    61 S   HC   _H47    53     1.09335   108.03703  -177.38169
   64    61 S   CT   _C24    54     1.53907   112.10176   -54.28218
   65    64 S   CT   _C18    55     1.55040   106.51891    56.43375
   66    65 S   HC   _H52    56     1.10338   108.08065    56.24311
   67    64 S   CT   _C28    99     1.54800   110.06231   -67.29189
   68    67 S   HC   _H63   100     1.09448   112.43904  -177.19593
   69    67 S   HC   _H64   101     1.09300   112.82060    62.00967
   70    67 S   HC   _H65   102     1.09497   110.87454   -57.35261
   71    65 S   CT   _C11    57     1.52132   103.87468   168.33987
   72    71 S   HC   _H40    58     1.09482   112.10703  -155.30778
   73    71 S   HC   _H41    59     1.09576   111.56102    83.96968
   74    52 S   CT   _C19    90     1.55827   112.01761   -55.19233
   75    74 S   HC   _H53    91     1.09492   109.50185   -63.37723
   76    71 S   CT   _C13    60     1.53413   103.97711   -35.11555
   77    76 S   HC   _H44    61     1.09601   109.22980   130.00427
   78    76 S   HC   _H45    62     1.09581   110.65570  -111.83814
   79    74 S   CT   _C15    92     1.53657   111.64289    55.22022
   80    79 S   HC   _H48    93     1.09568   109.94725    70.21641
   81    79 S   HC   _H49    94     1.09749   108.64070  -174.04721
   82    64 S   CT   _C20    63     1.56176   115.93783   165.84756
   83    82 S   HC   _H54    64     1.09963   107.09777   -41.76451
   84    82 S   CT   _C31    65     1.55488   119.45641    80.59853
   85    84 S   HC   _H71    66     1.09852   108.70665    58.16349
   86    84 S   CT   _C22    67     1.55793   112.49558   175.02937
   87    86 S   HC   _H56    68     1.09744   108.68001   -58.09586
   88    84 S   CT   _C29    86     1.53534   112.35267   -58.96366
   89    88 S   HC   _H66    87     1.09463   111.56653   -47.81442
   90    88 S   HC   _H67    88     1.09472   111.84354  -168.80527
   91    88 S   HC   _H68    89     1.09267   110.94855    73.02821
   92    86 S   CT   _C10    69     1.52323   114.69835    65.39387
   93    92 S   HC   _H38    70     1.09569   112.00722    55.30696
   94    92 S   HC   _H39    71     1.09520   109.60635   -64.57659
   95    92 S   CM   _C7_    72     1.50528   109.25228   174.87960
   96    95 S   CM   _C6_    73     1.34883   120.69006   -29.25358
   97    95 S   CT   _C26    82     1.50396   114.42453   151.76208
   98    97 S   HC   _H57    83     1.09473   110.12442   -69.93779
   99    97 S   HC   _H58    84     1.09250   113.48086   168.66405
  100    97 S   HC   _H59    85     1.09561   109.96308    49.36711
  101    96 S   CO4  _C9_    74     1.49213   119.46728    -4.19703
  102   101 S   O    _O30    75     1.22683   121.64701  -165.83884
  103    96 S   CT   _C30    77     1.50264   125.16518   177.38110
  104   103 S   HC   _H69    78     1.09383   112.40754   -26.28201
  105   103 S   HC   _H70    79     1.09578   110.92581  -145.39217
  106    86 S   OS   _O33    76     1.44512   108.14324  -172.60397
  107   103 S   OH   _O36    80     1.42043   109.21986    94.64749
  108   107 S   HO   _H74    81     0.97224   107.05558   176.74833
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  25   2   1   1  15   7  15   7   8   4   6   1   3   1   6   3
  10   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21
  19   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1
   1  11   4  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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    51    52    79    39    40    43    54    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    49    50    51    52    53    58    74    79    80    81    39    40    43    44    54    55    56    57    45    46  
   35    36  
   36  
    0  
   38    41    42    47    48    49    51    52    79    39    40    43    54    45    46  
   41    42    47    51    39    45    46  
   40    43    44    54    45    41    49    51    52    65    74    75    79    80    81  
   43    44    51    74    79    80    81  
   42    47    48    49    50    51    45    46  
   47    48    49    45  
   44    51    74    79    80    81  
   79  
   46    47    51  
    0  
   48    49    50    51    52    54  
   49    50    51  
   50    51    52    53    58    74    54    55    56    57  
   51    52    54  
   52    53    58    59    60    61    65    74    75    79    54    55    56    57  
   53    58    59    60    61    62    63    64    65    66    71    74    75    79    80    81    54    55    56    57  
   58    59    60    61    65    74    75    79    54  
   55    56    57    58    74  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    82    74    75    79    67  
   60    61    62    63    64    74  
   61    62    63    64    74  
   62    63    64    65    66    71    76    82    83    84    74    67    68    69    70  
   63    64    65    82    67  
   64    65    82    67  
   65    66    71    72    73    76    77    78    82    83    84    85    86    88    74    75    79    67    68    69    70  
   66    71    72    73    76    77    78    82    83    84    74    75    79    80    81    67    68    69    70  
   71    72    73    76    82    74    75    79    67  
   68    69    70    71    74    76    82    83    84  
   69    70    82  
   70    82  
   82  
   72    73    76    77    78    82    83    84    74    75    79  
   73    76    77    78    82    74  
   76    77    78    82    74  
   75    79    80    81    76    82  
   79    80    81  
   77    78    82    83    84    85    86    88  
   78    82    83    84  
   82    83    84  
   80    81  
   81  
    0  
   83    84    85    86    87    92   106    88    89    90    91  
   84    85    86    88  
   85    86    87    92    93    94    95   101   106    88    89    90    91  
   86    87    92   106    88    89    90    91  
   87    92    93    94    95    96   101   102   106    97    88    89    90    91  
   92    93    94    95   101   106    88  
   89    90    91    92   106  
   90    91  
   91  
    0  
   93    94    95    96   101   106   103    97    98    99   100  
   94    95    96   106    97  
   95    96   106    97  
   96   101   102   106   103   104   105   107    97    98    99   100  
  101   102   106   103   104   105   107   108    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   106   103   104   105   107  
  106   103  
  104   105   107   108   106  
  105   107   108  
  107   108  
    0  
  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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  107   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  108   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.510
   37    45   320.000  1.410
   41    42   340.000  1.080
   41    47   549.000  1.340
   47    48   340.000  1.080
   47    49   320.000  1.462
   49    50   570.000  1.229
   49    51   317.000  1.522
   51    52   268.000  1.529
   51    54   268.000  1.529
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   268.000  1.529
   64    82   268.000  1.529
   64    67   268.000  1.529
   65    66   340.000  1.090
   65    71   268.000  1.529
   65    74   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   82    83   340.000  1.090
   82    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    92   268.000  1.529
   86   106   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   106   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   107   320.000  1.410
  107   108   553.000  0.945
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   74    75   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    70.00000  112.02700
   33    37    45    50.00000  109.50000
   33    51    49    63.00000  111.10000
   33    51    52    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    39    79    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    35.00000  117.00000
   37    41    47    70.00000  124.00000
   37    45    46    55.00000  108.50000
   41    37    38    35.00000  109.50000
   41    47    48    35.00000  120.00000
   41    47    49    65.00000  118.96000
   47    41    42    35.00000  120.00000
   47    49    50    80.00000  123.72100
   47    49    51    65.00000  118.62400
   49    47    48    40.00000  117.72500
   49    51    52    63.00000  111.10000
   49    51    54    63.00000  111.10000
   51    33    37    58.35000  112.70000
   51    49    50    80.00000  120.40000
   51    52    53    37.50000  110.70000
   51    52    58    58.35000  112.70000
   51    52    74    58.35000  112.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    58.35000  112.70000
   52    74    65    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    79    58.35000  112.70000
   58    52    53    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    37.50000  110.70000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    64    65    58.35000  112.70000
   61    64    82    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    65    66    37.50000  110.70000
   64    65    71    58.35000  112.70000
   64    65    74    58.35000  112.70000
   64    82    76    58.35000  112.70000
   64    82    83    37.50000  110.70000
   64    82    84    58.35000  112.70000
   64    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    76    58.35000  112.70000
   65    74    75    37.50000  110.70000
   65    74    79    58.35000  112.70000
   71    65    66    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    82    58.35000  112.70000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    64    65    58.35000  112.70000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    84    85    37.50000  110.70000
   82    84    86    58.35000  112.70000
   82    84    88    58.35000  112.70000
   84    82    83    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    92    58.35000  112.70000
   84    86   106    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    94    37.50000  110.70000
   86    92    95    70.00000  112.02700
   86   106   101    83.00000  116.90000
   92    86    87    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   106    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   107    90.00000  110.39200
  106    86    87    35.00000  109.50000
  106    86    92    50.00000  109.50000
  106   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  103   107   108    55.00000  108.50000
  105   103   104    33.00000  107.80000
  107   103   104    35.00000  109.50000
  107   103   105    35.00000  109.50000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    65    66    37.50000  110.70000
   74    65    71    58.35000  112.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    39    58.35000  112.70000
   79    74    75    37.50000  110.70000
   79    39    40    37.50000  110.70000
   79    39    43    50.00000  109.50000
   81    79    80    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    51    58.35000  112.70000
   39    79    80    37.50000  110.70000
   39    79    81    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   67    64    65    58.35000  112.70000
   67    64    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    51    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   45    37    38    35.00000  109.50000
   45    37    41    90.00000  110.39200
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
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   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    91   0.15000  1.0 3.0
   86    84    88    89   0.15000  1.0 3.0
   86    84    88    90   0.15000  1.0 3.0
   86    84    88    91   0.15000  1.0 3.0
   86    92    95    96   0.09850  1.0 1.0
   86    92    95    96   0.15250 -1.0 2.0
   86    92    95    96  -0.50650  1.0 3.0
   86    92    95    97   0.46850  1.0 1.0
   86    92    95    97   0.08550 -1.0 2.0
   86    92    95    97   0.09800  1.0 3.0
   87    86    92    93   0.15000  1.0 3.0
   87    86    92    94   0.15000  1.0 3.0
   87    86    92    95   0.15000  1.0 3.0
   87    86   106   101   0.08050  1.0 3.0
   92    86   106   101  -0.25900  1.0 1.0
   92    86   106   101  -0.47000 -1.0 2.0
   92    86   106   101   0.11750  1.0 3.0
   92    95   -96   101   7.00000 -1.0 2.0
   92    95    96   103   7.00000 -1.0 2.0
   92    95    97    98   0.34800  1.0 3.0
   92    95    97    99   0.34800  1.0 3.0
   92    95    97   100   0.34800  1.0 3.0
   93    92    95    96   0.00000  1.0 1.0
   93    92    95    97   0.34800  1.0 3.0
   94    92    95    96   0.00000  1.0 1.0
   94    92    95    97   0.34800  1.0 3.0
   95    96   101   102   1.00000 -1.0 2.0
   95    96   101   106  -0.56150  1.0 1.0
   95    96   101   106   2.19150 -1.0 2.0
   95    96   103   104   0.00000  1.0 1.0
   95    96   103   105   0.00000  1.0 1.0
   95    96   103   107   0.67800  1.0 1.0
   95    96   103   107   0.47050 -1.0 2.0
   95    96   103   107  -0.62500  1.0 3.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   96   101  -106    86   2.00000 -1.0 2.0
   96   103   107   108  -0.07800  1.0 1.0
   96   103   107   108  -0.21500 -1.0 2.0
   96   103   107   108  -0.03150  1.0 3.0
  101    96   103   104   0.15000  1.0 3.0
  101    96   103   105   0.15000  1.0 3.0
  101    96   103   107   0.09700  1.0 1.0
  101    96   103   107   0.15600 -1.0 2.0
  101    96   103   107  -0.50800  1.0 3.0
  102   101   106    86   3.00000 -1.0 2.0
  106    86    92    93   0.23400  1.0 3.0
  106    86    92    94   0.23400  1.0 3.0
  106    86   -92    95   0.61850  1.0 1.0
  106    86   -92    95  -0.22750 -1.0 2.0
  106    86   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   106  -0.15000  1.0 1.0
  103    96   101   106   0.89550 -1.0 2.0
  103    96   101   106  -0.06900  1.0 3.0
  104   103   107   108   0.19450  1.0 3.0
  105   103   107   108   0.19450  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    92   0.56750  1.0 1.0
   88    84    86    92  -0.07550 -1.0 2.0
   88    84    86    92   0.20000  1.0 3.0
   88    84    86   106   0.62750  1.0 1.0
   88    84    86   106  -0.30950 -1.0 2.0
   88    84    86   106   0.27300  1.0 3.0
   74    52    58    59   0.15000  1.0 3.0
   74    52    58    60   0.15000  1.0 3.0
   74    52   -58    61   0.56750  1.0 1.0
   74    52   -58    61  -0.07550 -1.0 2.0
   74    52   -58    61   0.20000  1.0 3.0
   74    65    71    72   0.15000  1.0 3.0
   74    65    71    73   0.15000  1.0 3.0
   74    65    71    76   0.56750  1.0 1.0
   74    65    71    76  -0.07550 -1.0 2.0
   74    65    71    76   0.20000  1.0 3.0
   74    79   -39    33   0.56750  1.0 1.0
   74    79   -39    33  -0.07550 -1.0 2.0
   74    79   -39    33   0.20000  1.0 3.0
   74    79    39    40   0.15000  1.0 3.0
   74    79    39    43   0.86500  1.0 1.0
   74    79    39    43  -0.17500 -1.0 2.0
   74    79    39    43   0.20800  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    39   0.15000  1.0 3.0
   79    39    43    44  -0.11600  1.0 1.0
   79    39    43    44  -0.09450 -1.0 2.0
   79    39    43    44   0.21250  1.0 3.0
   80    79    39    33   0.15000  1.0 3.0
   80    79    39    40   0.15000  1.0 3.0
   80    79    39    43   0.23400  1.0 3.0
   81    79    39    33   0.15000  1.0 3.0
   81    79    39    40   0.15000  1.0 3.0
   81    79    39    43   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41   0.34400  1.0 1.0
   39    33    37    41   0.09450 -1.0 2.0
   39    33    37    41   0.11100  1.0 3.0
   39    33    37    45   0.86500  1.0 1.0
   39    33    37    45  -0.17500 -1.0 2.0
   39    33    37    45   0.20800  1.0 3.0
   39    33    51    49  -0.95700  1.0 1.0
   39    33    51    49  -0.18200 -1.0 2.0
   39    33    51    49   0.29450  1.0 3.0
   39    33   -51    52   0.56750  1.0 1.0
   39    33   -51    52  -0.07550 -1.0 2.0
   39    33   -51    52   0.20000  1.0 3.0
   39    33    51    54   0.56750  1.0 1.0
   39    33    51    54  -0.07550 -1.0 2.0
   39    33    51    54   0.20000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64    65    74   0.56750  1.0 1.0
   67    64    65    74  -0.07550 -1.0 2.0
   67    64    65    74   0.20000  1.0 3.0
   67    64    82    76   0.56750  1.0 1.0
   67    64    82    76  -0.07550 -1.0 2.0
   67    64    82    76   0.20000  1.0 3.0
   67    64    82    83   0.15000  1.0 3.0
   67    64    82    84   0.56750  1.0 1.0
   67    64    82    84  -0.07550 -1.0 2.0
   67    64    82    84   0.20000  1.0 3.0
   54    51    52    53   0.15000  1.0 3.0
   54    51    52    58   0.56750  1.0 1.0
   54    51    52    58  -0.07550 -1.0 2.0
   54    51    52    58   0.20000  1.0 3.0
   54    51    52    74   0.56750  1.0 1.0
   54    51    52    74  -0.07550 -1.0 2.0
   54    51    52    74   0.20000  1.0 3.0
   45    37    41    42   0.00000  1.0 1.0
   45    37    41    47   0.67800  1.0 1.0
   45    37    41    47   0.47050 -1.0 2.0
   45    37    41    47  -0.62500  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
   36    30    34    35  10.50000 -1.0 2.0
   37    42    41    47   1.10000 -1.0 2.0
   49    48    47    41   1.10000 -1.0 2.0
   47    51    49    50  10.50000 -1.0 2.0
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   106   101   102  10.50000 -1.0 2.0
END
