* LIGAND DATABASE FILE (OPLS2005)
*
001     114   118    222    350     646
    1     0 S   NP   _N1_     1    29.03757    90.09296   -26.06889
    2     1 S   H    _HN1     2     1.02776   113.34394  -115.80517
    3     1 S   H    _H1_     3     1.02954   106.59275     3.29913
    4     1 S   H    _H2_     4     1.02835     5.93435   -92.12436
    5     1 S   CT   _CA1     5     1.50133   105.77884   120.80913
    6     5 S   HC   _HA1     6     1.09571   105.22154    62.66415
    7     5 S   CO3  _C1_     7     1.53797   112.31833   -57.57764
    8     7 S   O2Z  _O11     8     1.26375   114.98927   -44.14985
    9     7 S   O2Z  _O12     9     1.26233   114.93292   134.86478
   10     5 S   CT   _CB1    10     1.53071   107.41995  -179.36913
   11    10 S   HC   HB11    11     1.09825   109.41699   -49.76874
   12    10 S   HC   HB12    12     1.09798   110.37694    66.80825
   13    10 S   CT   _CG1    13     1.53004   112.64613  -170.82669
   14    13 S   HC   HG11    14     1.09593   110.49239   -63.61659
   15    13 S   HC   HG12    15     1.09646   109.96762    55.64242
   16    13 S   C    _CD1    16     1.51755   112.22234   176.06836
   17    16 S   O    _OE1    17     1.22768   123.34571     0.00000
   18    16 S   N    _N2_    18     1.38576   111.83684  -179.80416
   19    18 S   H    _HN2    19     1.01539   119.26440     3.72489
   20    18 S   CT1  _CA2    20     1.45691   122.39714  -178.45086
   21    20 S   HC   _HA2    21     1.09686   108.21830    35.30331
   22    20 S   C    _C2_    22     1.52898   107.58219   -81.99182
   23    22 S   O    _O2_    23     1.22981   122.96202   -29.99412
   24    20 S   CT   _CB2    32     1.53157   112.39358   158.42198
   25    24 S   HC   HB21    33     1.09613   110.56991    53.13814
   26    24 S   HC   HB22    34     1.09471   109.94387   170.92037
   27    22 S   N    _N3_    24     1.38584   112.59168   152.76910
   28    27 S   H    _HN3    25     1.01800   120.35536    -1.53621
   29    24 S   S    _SG2    35     1.83044   111.65277   -66.51912
   30    27 S   CT   _CA3    26     1.45348   122.21205   178.80221
   31    30 S   HC   HA31    27     1.09575   107.57275   -59.46813
   32    30 S   HC   HA32    28     1.09572   107.74012    56.73083
   33    29 S   CT   _C22    36     1.86004   100.02012  -126.05487
   34    33 S   HC   _H3_    37     1.09190   105.72384    38.37391
   35    30 S   CO3  _C3_    29     1.52840   114.65883   178.61874
   36    35 S   O2Z  _O31    30     1.26281   116.19809    -2.94311
   37    35 S   O2Z  _O32    31     1.26463   114.35797   177.10166
   38    33 S   CT   _C14    38     1.53281   105.39279   -76.29921
   39    38 S   HC   _H47    39     1.09695   111.35523    49.11701
   40    38 S   HC   _H48    40     1.09505   111.89703   -71.05210
   41    38 S   CO4  _C9_    41     1.50951   111.09011   167.08870
   42    41 S   O    _O33    42     1.23246   120.27206  -143.91957
   43    41 S   CT   _C24    43     1.52726   117.70582    36.74275
   44    43 S   CT   _C18    44     1.58910   108.95287    21.91006
   45    44 S   HC   _H53    45     1.09007   105.09060  -173.73168
   46    43 S   CT   _C29   107     1.54772   108.37784   143.99348
   47    46 S   HC   _H64   108     1.09513   111.11666  -174.40963
   48    46 S   HC   _H65   109     1.09726   111.42497    66.26559
   49    46 S   HC   _H66   110     1.09435   112.42902   -51.87108
   50    43 S   CT   _C30   111     1.54010   107.25991  -102.29658
   51    50 S   HC   _H67   112     1.09357   111.25862   174.55554
   52    50 S   HC   _H68   113     1.09077   113.46886    51.23662
   53    50 S   HC   _H69   114     1.09765   110.94716   -66.42403
   54    33 S   CT   _C26    46     1.59756   116.85960   157.73999
   55    44 S   CT   _C34    97     1.57155   110.26437    73.44264
   56    55 S   HC   _H79    98     1.09503   110.50324   -34.24642
   57    55 S   HC   _H80    99     1.08900   114.30991  -153.78335
   58    54 S   CT   _C17    47     1.63780   110.78120   -90.00920
   59    58 S   HC   _H52    48     1.09368   104.13376   -63.88982
   60    54 S   CT   _C32    93     1.54593   109.88432    29.60482
   61    60 S   HC   _H73    94     1.09618   111.63919    46.99085
   62    60 S   HC   _H74    95     1.09069   112.72177   -72.60287
   63    60 S   HC   _H75    96     1.09155   111.49537   166.80749
   64    55 S   CO4  _C13   100     1.51979   113.15798    88.47371
   65    64 S   O    _O36   101     1.22348   124.97101    34.17018
   66    58 S   CM   _C8_    49     1.55945   116.52061  -178.00659
   67    58 S   CT   _C20    69     1.58243   116.73399    49.73614
   68    67 S   HC   _H55    70     1.08622   111.81200   -26.83396
   69    64 S   OS   _O41   102     1.36530   109.35996  -147.82451
   70    66 S   C3T  _C23    50     1.47096   114.92732   -93.71113
   71    67 S   OS   _O39    71     1.46103   107.55791  -142.79357
   72    66 S   CM   _C10    90     1.34536   121.65676    95.23409
   73    72 S   HC   _H45    91     1.08499   121.23670   175.19095
   74    72 S   HC   _H46    92     1.08315   122.01749    -3.98433
   75    69 S   CT   _C33   103     1.43046   115.21328  -179.39867
   76    75 S   HC   _H76   104     1.09327   108.10756  -179.09930
   77    75 S   HC   _H77   105     1.09419   110.26521    62.20901
   78    75 S   HC   _H78   106     1.09428   110.30757   -60.41624
   79    70 S   C3T  _C19    51     1.49083   129.08462   157.81147
   80    79 S   HC   _H54    52     1.07525   123.64987     6.16284
   81    71 S   CO4  _C11    72     1.36185   118.66058    91.36593
   82    81 S   O    _O34    73     1.22245   126.48586    -0.38967
   83    79 S   CT   _C15    53     1.50616   109.87889   153.03520
   84    83 S   HC   _H49    54     1.09463   109.65864  -102.70188
   85    83 S   HC   _H50    55     1.09495   111.54672   137.38993
   86    81 S   CT   _C27    74     1.49794   109.35089   179.36480
   87    86 S   HC   _H58    75     1.09278   109.75406   -64.53505
   88    86 S   HC   _H59    76     1.09328   109.45146   176.14659
   89    86 S   HC   _H60    77     1.09308   109.83725    57.30471
   90    70 S   O3T  _O38    89     1.45175   118.49078    87.95273
   91    83 S   CT   _C16    56     1.55984   103.53916    17.78613
   92    91 S   HC   _H51    57     1.10178   106.49423    79.89377
   93    91 S   C5BC _C7_    58     1.49539   114.72807  -162.57673
   94    70 S   CT   _C25    66     1.52927   116.08273   -57.17357
   95    93 S   C5BC _C4_    59     1.42612   126.08785  -139.81184
   96    95 S   HA   _H42    60     1.08102   127.28510    -0.61102
   97    94 S   CT   _C21    67     1.54649   105.69558    61.10567
   98    97 S   HC   _H56    68     1.09561   107.72125    65.38998
   99    94 S   CT   _C31    85     1.55314   110.37453   -61.53652
  100    99 S   HC   _H70    86     1.09270   113.03397    52.69788
  101    99 S   HC   _H71    87     1.09541   111.66294   -65.28800
  102    99 S   HC   _H72    88     1.09472   111.64563   173.89202
  103    95 S   C5A  _C5_    61     1.37401   106.80759   179.52358
  104   103 S   HA   _H43    62     1.08021   133.84618   179.76261
  105    97 S   OS   _O40    78     1.44503   109.26346  -176.43355
  106   103 S   OA   _O37    63     1.35594   110.41000    -0.48335
  107   105 S   CO4  _C12    79     1.36154   117.69866  -147.55105
  108   107 S   O    _O35    80     1.22275   126.38729     0.97378
  109    93 S   C5A  _C6_    64     1.38203   129.10401    38.67068
  110   109 S   HA   _H44    65     1.08064   133.57890     0.77076
  111   107 S   CT   _C28    81     1.49840   109.46784  -177.99944
  112   111 S   HC   _H61    82     1.09307   110.19467   -46.78857
  113   111 S   HC   _H62    83     1.09336   109.35086  -165.14188
  114   111 S   HC   _H63    84     1.09245   109.64005    74.88485
  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
  19   8   2   1   1  11   5   4  14   4  17  24   9   9   3   2
   1   5   2   1   1  17   8   4   3  20   8   5   2   1   1   6
   2  15  14   6   4  20  10   5   1   1   3   2   1   1  11   6
   6   4  11   6   5   3   2   1   1   4  16   6  10  10   6   4
   9   3   4   2   1   1   4   2   6   2   5   4   1   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    54    58    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    54    58    59    66    67    60    61    62    63    55  
   38    39    40    41    44    54    58    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    54    58    60    46    50  
   40    41    42    43    54  
   41    42    43    54  
   42    43    44    45    54    55    46    47    48    49    50    51    52    53  
   43    44    46    50  
   44    45    54    58    60    55    56    57    64    46    47    48    49    50    51    52    53  
   45    54    58    59    66    67    60    61    62    63    55    56    57    64    65    69    46    47    48    49    50    51    52    53  
   54    58    60    55    56    57    64    46    50  
   47    48    49    50    51    52    53    54    55  
   48    49    50  
   49    50  
   50  
   51    52    53    54    55  
   52    53  
   53  
    0  
   58    59    66    70    97    67    68    71    72    60    61    62    63    55    56    57    64  
   56    57    64    65    69    75    58    60  
   57    64    65    69  
   64    65    69  
   59    66    70    79    94    97    98    67    68    71    81   105    90    72    73    74    60    61    62    63  
   66    70    97    67    68    71    72    60  
   61    62    63    66    67  
   62    63  
   63  
    0  
   65    69    75    76    77    78  
   69    75  
   70    79    80    83    91    94    97    67    68    71    99    90    72    73    74  
   68    71    81    82    86   105   107    99    72    70    91    94    97    98  
   71    81   105    94    97    98  
   75    76    77    78  
   79    80    83    84    85    91    92    93    94    97    98   105    99   100   101   102    90    72    73    74  
   81    82    86    87    88    89   105    94    97    98  
   73    74    79    90    94  
   74  
    0  
   76    77    78  
   77    78  
   78  
    0  
   80    83    84    85    91    92    93    94    97    99    90  
   83    84    85    91    94    90  
   82    86    87    88    89    97  
   86    87    88    89  
   84    85    91    92    93    95   109    94    97    99    90  
   85    91    92    93    94    90  
   91    92    93    94    90  
   87    88    89  
   88    89  
   89  
    0  
   91    94    97    99  
   92    93    95    96   103   106   109   110    94    97    98   105    99   100   101   102  
   93    95   109    94    97    99  
   95    96   103   104   106   109   110    94    97    99  
   97    98   105   107    99   100   101   102    95   109  
   96   103   104   106   109   110  
  103   104   106   109  
   98   105   107   108   111    99   100   101   102  
  105   107    99  
  100   101   102   105  
  101   102  
  102  
    0  
  104   106   109   110  
  106   109  
  107   108   111   112   113   114  
  109   110  
  108   111   112   113   114  
  111   112   113   114  
  110  
    0  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  105   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  106   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
  107   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  108   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  109   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
  110   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  113   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  114   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    54   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    50   268.000  1.529
   44    45   340.000  1.090
   44    54   268.000  1.529
   44    55   268.000  1.529
   54    58   268.000  1.529
   54    60   268.000  1.529
   58    59   340.000  1.090
   58    66   317.000  1.510
   58    67   268.000  1.529
   66    70   305.000  1.480
   66    72   549.000  1.340
   70    79   260.000  1.509
   70    94   275.000  1.510
   70    90   335.000  1.432
   79    80   340.000  1.088
   79    83   275.000  1.510
   79    90   335.000  1.432
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    91   268.000  1.529
   91    92   340.000  1.090
   91    93   285.000  1.502
   91    94   268.000  1.529
   93    95   469.000  1.424
   93   109   546.000  1.367
   95    96   367.000  1.080
   95   103   546.000  1.367
  103   104   367.000  1.080
  103   106   340.000  1.360
  106   109   340.000  1.360
  109   110   367.000  1.080
   94    97   268.000  1.529
   94    99   268.000  1.529
   97    98   340.000  1.090
   97    67   268.000  1.529
   97   105   320.000  1.410
   67    68   340.000  1.090
   67    71   320.000  1.410
   71    81   214.000  1.327
   81    82   570.000  1.229
   81    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
  105   107   214.000  1.327
  107   108   570.000  1.229
  107   111   317.000  1.522
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
   72    73   340.000  1.080
   72    74   340.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   317.000  1.522
   64    65   570.000  1.229
   64    69   214.000  1.327
   69    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    54    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    54    44    58.35000  112.70000
   33    54    58    58.35000  112.70000
   33    54    60    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    50    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    54    58.35000  112.70000
   43    44    55    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   44    54    58    58.35000  112.70000
   44    54    60    58.35000  112.70000
   44    55    56    37.50000  110.70000
   44    55    57    37.50000  110.70000
   44    55    64    63.00000  111.10000
   54    33    34    37.50000  110.70000
   54    33    38    58.35000  112.70000
   54    44    45    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    66    70.00000  112.02700
   54    58    67    58.35000  112.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   58    66    70    65.00000  117.92700
   58    66    72    70.00000  124.00000
   58    67    97    58.35000  112.70000
   58    67    68    37.50000  110.70000
   58    67    71    50.00000  109.50000
   66    58    59    35.00000  109.50000
   66    70    79    60.00000  120.58800
   66    70    94    65.00000  117.55000
   66    70    90    85.00000  114.23300
   66    72    73    35.00000  120.00000
   66    72    74    35.00000  120.00000
   70    79    80    37.50000  117.20000
   70    79    83    60.00000  120.94000
   70    79    90    15.00000   60.43100
   70    94    91    70.00000  112.37300
   70    94    97    70.00000  112.37300
   70    94    99    70.00000  112.37300
   70    90    79    15.00000   59.14900
   79    83    84    45.00000  109.38400
   79    83    85    45.00000  109.38400
   79    83    91    70.00000  112.37300
   83    79    80    40.00000  115.04500
   83    91    92    37.50000  110.70000
   83    91    93    70.00000  112.17500
   83    91    94    58.35000  112.70000
   85    83    84    33.00000  107.80000
   91    83    84    37.50000  110.70000
   91    83    85    37.50000  110.70000
   91    93    95    60.00000  130.00000
   91    93   109    60.00000  130.00000
   91    94    97    58.35000  112.70000
   91    94    99    58.35000  112.70000
   93    91    92    35.00000  109.50000
   93    95    96    35.00000  127.50000
   93    95   103    70.00000  107.30000
   93   109   106    70.00000  110.60000
   93   109   110    35.00000  132.10000
   95   103   104    35.00000  132.10000
   95   103   106    70.00000  110.60000
  103    95    96    35.00000  125.70000
  103   106   109    70.00000  106.50000
  106   103   104    35.00000  113.40000
  106   109   110    35.00000  113.40000
  109    93    95    70.00000  107.30000
   94    70    79    60.00000  120.94000
   94    91    92    37.50000  110.70000
   94    91    93    70.00000  112.17500
   94    97    98    37.50000  110.70000
   94    97    67    58.35000  112.70000
   94    97   105    50.00000  109.50000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    37.50000  110.70000
   97    67    68    37.50000  110.70000
   97    67    71    50.00000  109.50000
   97   105   107    83.00000  116.90000
   67    58    59    37.50000  110.70000
   67    58    66    70.00000  112.02700
   67    97    98    37.50000  110.70000
   67    71    81    83.00000  116.90000
   71    67    68    35.00000  109.50000
   71    81    82    83.00000  123.40000
   71    81    86    81.00000  111.40000
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   86    81    82    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
  105    97    98    35.00000  109.50000
  105    97    67    50.00000  109.50000
  105   107   108    83.00000  123.40000
  105   107   111    81.00000  111.40000
  107   111   112    35.00000  109.50000
  107   111   113    35.00000  109.50000
  107   111   114    35.00000  109.50000
  111   107   108    80.00000  120.40000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   99    94    97    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   90    70    79    15.00000   60.43100
   90    70    94    80.00000  116.47100
   90    79    80    50.00000  114.27700
   90    79    83    80.00000  116.47100
   72    66    70    55.00000  125.06700
   74    72    73    35.00000  117.00000
   60    54    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   55    44    45    37.50000  110.70000
   55    44    54    58.35000  112.70000
   55    64    65    80.00000  120.40000
   55    64    69    81.00000  111.40000
   57    55    56    33.00000  107.80000
   64    55    56    35.00000  109.50000
   64    55    57    35.00000  109.50000
   64    69    75    83.00000  116.90000
   69    64    65    83.00000  123.40000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   46    43    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    43    44    58.35000  112.70000
   50    43    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
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  109    93    95    96   3.62500 -1.0 2.0
  109    93   -95   103   3.62500 -1.0 2.0
   94    70    79    80   0.15000  1.0 3.0
   94    70   -79    83   0.56750  1.0 1.0
   94    70   -79    83  -0.07550 -1.0 2.0
   94    70   -79    83   0.20000  1.0 3.0
   94    70   -79    90   0.02550  1.0 1.0
   94    70   -79    90  -0.02600 -1.0 2.0
   94    70   -79    90   1.20400  1.0 3.0
   94    70   -90    79   0.06250  1.0 1.0
   94    70   -90    79  -0.01100 -1.0 2.0
   94    70   -90    79   0.28050  1.0 3.0
   94    91    93    95   0.04150 -1.0 2.0
   94    91    93   109   0.04150 -1.0 2.0
   94    97   -67    58   0.56750  1.0 1.0
   94    97   -67    58  -0.07550 -1.0 2.0
   94    97   -67    58   0.20000  1.0 3.0
   94    97    67    68   0.15000  1.0 3.0
   94    97    67    71   0.62750  1.0 1.0
   94    97    67    71  -0.30950 -1.0 2.0
   94    97    67    71   0.27300  1.0 3.0
   94    97   105   107  -0.25900  1.0 1.0
   94    97   105   107  -0.47000 -1.0 2.0
   94    97   105   107   0.11750  1.0 3.0
   97    94    99   100   0.15000  1.0 3.0
   97    94    99   101   0.15000  1.0 3.0
   97    94    99   102   0.15000  1.0 3.0
   97    67    71    81  -0.25900  1.0 1.0
   97    67    71    81  -0.47000 -1.0 2.0
   97    67    71    81   0.11750  1.0 3.0
   97   105   107   108   3.00000 -1.0 2.0
   97   105   107   111   1.63150  1.0 1.0
   97   105   107   111   2.92000 -1.0 2.0
   98    97    67    58   0.15000  1.0 3.0
   98    97    67    68   0.15000  1.0 3.0
   98    97    67    71   0.23400  1.0 3.0
   98    97   105   107   0.08050  1.0 3.0
   67    58   -66    70   0.46850  1.0 1.0
   67    58   -66    70   0.08550 -1.0 2.0
   67    58   -66    70   0.09800  1.0 3.0
   67    58    66    72   0.09850  1.0 1.0
   67    58    66    72   0.15250 -1.0 2.0
   67    58    66    72  -0.50650  1.0 3.0
   67    97   105   107  -0.25900  1.0 1.0
   67    97   105   107  -0.47000 -1.0 2.0
   67    97   105   107   0.11750  1.0 3.0
   67    71    81    82   3.00000 -1.0 2.0
   67    71    81    86   1.63150  1.0 1.0
   67    71    81    86   2.92000 -1.0 2.0
   68    67    71    81   0.08050  1.0 3.0
   71    81    86    87   0.00000  1.0 1.0
   71    81    86    88   0.00000  1.0 1.0
   71    81    86    89   0.00000  1.0 1.0
   82    81    86    87   0.00000  1.0 1.0
   82    81    86    88   0.00000  1.0 1.0
   82    81    86    89   0.00000  1.0 1.0
  105    97    67    58   0.62750  1.0 1.0
  105    97    67    58  -0.30950 -1.0 2.0
  105    97    67    58   0.27300  1.0 3.0
  105    97    67    68   0.23400  1.0 3.0
  105    97    67    71   1.11900  1.0 1.0
  105    97    67    71  -1.16350 -1.0 2.0
  105    97    67    71  -0.34150  1.0 3.0
  105   107   111   112   0.00000  1.0 1.0
  105   107   111   113   0.00000  1.0 1.0
  105   107   111   114   0.00000  1.0 1.0
  108   107   111   112   0.00000  1.0 1.0
  108   107   111   113   0.00000  1.0 1.0
  108   107   111   114   0.00000  1.0 1.0
   99    94    97    98   0.15000  1.0 3.0
   99    94    97    67   0.56750  1.0 1.0
   99    94    97    67  -0.07550 -1.0 2.0
   99    94    97    67   0.20000  1.0 3.0
   99    94    97   105   0.62750  1.0 1.0
   99    94    97   105  -0.30950 -1.0 2.0
   99    94    97   105   0.27300  1.0 3.0
   90    70   -79    80   0.23400  1.0 3.0
   90    70   -79    83   0.02550  1.0 1.0
   90    70   -79    83  -0.02600 -1.0 2.0
   90    70   -79    83   1.20400  1.0 3.0
   90    70    94    91   0.02550  1.0 1.0
   90    70    94    91  -0.02600 -1.0 2.0
   90    70    94    91   1.20400  1.0 3.0
   90    70    94    97   0.02550  1.0 1.0
   90    70    94    97  -0.02600 -1.0 2.0
   90    70    94    97   1.20400  1.0 3.0
   90    70    94    99   0.02550  1.0 1.0
   90    70    94    99  -0.02600 -1.0 2.0
   90    70    94    99   1.20400  1.0 3.0
   90    79    83    84   0.23400  1.0 3.0
   90    79    83    85   0.23400  1.0 3.0
   90    79   -83    91   0.02550  1.0 1.0
   90    79   -83    91  -0.02600 -1.0 2.0
   90    79   -83    91   1.20400  1.0 3.0
   72    66    70    79   0.09850  1.0 1.0
   72    66    70    79   0.15250 -1.0 2.0
   72    66    70    79  -0.50650  1.0 3.0
   72    66    70    94   0.09850  1.0 1.0
   72    66    70    94   0.15250 -1.0 2.0
   72    66    70    94  -0.50650  1.0 3.0
   72    66    70    90   0.39000  1.0 1.0
   72    66    70    90  -0.05800 -1.0 2.0
   72    66    70    90  -0.55150  1.0 3.0
   60    54    58    59   0.15000  1.0 3.0
   60    54    58    66   0.34400  1.0 1.0
   60    54    58    66   0.09450 -1.0 2.0
   60    54    58    66   0.11100  1.0 3.0
   60    54    58    67   0.56750  1.0 1.0
   60    54    58    67  -0.07550 -1.0 2.0
   60    54    58    67   0.20000  1.0 3.0
   55    44    54    33   0.56750  1.0 1.0
   55    44    54    33  -0.07550 -1.0 2.0
   55    44    54    33   0.20000  1.0 3.0
   55    44    54    58   0.56750  1.0 1.0
   55    44    54    58  -0.07550 -1.0 2.0
   55    44    54    58   0.20000  1.0 3.0
   55    44    54    60   0.56750  1.0 1.0
   55    44    54    60  -0.07550 -1.0 2.0
   55    44    54    60   0.20000  1.0 3.0
   55    64    69    75   1.63150  1.0 1.0
   55    64    69    75   2.92000 -1.0 2.0
   56    55    64    65   0.00000  1.0 1.0
   56    55    64    69   0.00000  1.0 1.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    69   0.00000  1.0 1.0
   64    69    75    76   0.08050  1.0 3.0
   64    69    75    77   0.08050  1.0 3.0
   64    69    75    78   0.08050  1.0 3.0
   65    64    69    75   3.00000 -1.0 2.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    54   0.56750  1.0 1.0
   46    43    44    54  -0.07550 -1.0 2.0
   46    43    44    54   0.20000  1.0 3.0
   46    43    44    55   0.56750  1.0 1.0
   46    43    44    55  -0.07550 -1.0 2.0
   46    43    44    55   0.20000  1.0 3.0
   46    43    50    51   0.15000  1.0 3.0
   46    43    50    52   0.15000  1.0 3.0
   46    43    50    53   0.15000  1.0 3.0
   50    43    44    45   0.15000  1.0 3.0
   50    43    44    54   0.56750  1.0 1.0
   50    43    44    54  -0.07550 -1.0 2.0
   50    43    44    54   0.20000  1.0 3.0
   50    43    44    55   0.56750  1.0 1.0
   50    43    44    55  -0.07550 -1.0 2.0
   50    43    44    55   0.20000  1.0 3.0
   50    43    46    47   0.15000  1.0 3.0
   50    43    46    48   0.15000  1.0 3.0
   50    43    46    49   0.15000  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
   38    43    41    42  10.50000 -1.0 2.0
   58    70    66    72   1.10000 -1.0 2.0
   95   109    93    91   4.00000 -1.0 2.0
  103    96    95    93   1.10000 -1.0 2.0
  106   104   103    95   1.10000 -1.0 2.0
  106   110   109    93   1.10000 -1.0 2.0
   71    86    81    82  10.50000 -1.0 2.0
  105   111   107   108  10.50000 -1.0 2.0
   73    74    72    66   1.10000 -1.0 2.0
   55    69    64    65  10.50000 -1.0 2.0
END
