* LIGAND DATABASE FILE (OPLS2005)
*
001     110   112    208    313     610
    1     0 S   NP   _N1_     1    30.04522    94.93369   -28.59428
    2     1 S   H    _HN1     2     1.02949    72.95788    -2.01324
    3     1 S   H    _H1_     3     1.02820    36.51405  -160.60969
    4     1 S   H    _H2_     4     1.02818   131.84673  -101.61643
    5     1 S   CT   _CA1     5     1.50137   111.88020   103.65001
    6     5 S   HC   _HA1     6     1.09565   105.20034    98.35786
    7     5 S   CO3  _C1_     7     1.53738   112.62666   -22.03272
    8     7 S   O2Z  _O11     8     1.26375   115.01211   -41.10384
    9     7 S   O2Z  _O12     9     1.26239   114.95078   138.07515
   10     5 S   CT   _CB1    10     1.52956   107.31541  -143.59347
   11    10 S   HC   HB11    11     1.09855   109.28337   -49.13864
   12    10 S   HC   HB12    12     1.09810   110.38714    67.43478
   13    10 S   CT   _CG1    13     1.53008   112.88013  -170.07017
   14    13 S   HC   HG11    14     1.09543   110.90928   -68.31650
   15    13 S   HC   HG12    15     1.09645   109.70711    51.12234
   16    13 S   C    _CD1    16     1.51687   111.37485   171.67836
   17    16 S   O    _OE1    17     1.22804   122.97181    18.13898
   18    16 S   N    _N2_    18     1.38538   112.26720  -162.08244
   19    18 S   H    _HN2    19     1.01565   119.11048     1.43504
   20    18 S   CT1  _CA2    20     1.46102   122.73703   173.81965
   21    20 S   HC   _HA2    21     1.09462   109.82601    18.91756
   22    20 S   C    _C2_    22     1.53156   104.73801   -96.31955
   23    22 S   O    _O2_    23     1.22910   122.87646  -106.68232
   24    20 S   CT   _CB2    32     1.53256   111.76347   142.76150
   25    24 S   HC   HB21    33     1.09664   109.80088    56.15574
   26    24 S   HC   HB22    34     1.09409   111.21451   173.41423
   27    22 S   N    _N3_    24     1.38679   112.67103    72.06781
   28    27 S   H    _HN3    25     1.01647   119.34495     1.90742
   29    24 S   S    _SG2    35     1.83131   113.72550   -62.58160
   30    27 S   CT   _CA3    26     1.45394   123.15076  -177.49368
   31    30 S   HC   HA31    27     1.09469   106.98333   -82.04108
   32    30 S   HC   HA32    28     1.09523   109.04512    34.55537
   33    29 S   CT   _C26    36     1.83658   100.95435   -71.40505
   34    33 S   HC   _H8_    37     1.09086   107.78934    36.31210
   35    30 S   CO3  _C3_    29     1.52898   113.71908   156.31251
   36    35 S   O2Z  _O31    30     1.26389   115.75423   -31.78477
   37    35 S   O2Z  _O32    31     1.26407   114.72913   148.72624
   38    33 S   CM   _C24    38     1.53314   110.95935   -85.45576
   39    33 S   CT   _C27   107     1.53203   108.67819   149.38349
   40    39 S   HC   _H32   108     1.09572   112.74715    57.71069
   41    39 S   HC   _H33   109     1.09649   110.80297   -63.04896
   42    39 S   HC   _H34   110     1.09618   110.48244   178.39917
   43    38 S   CMA  _C23    39     1.36807   122.76760   106.14188
   44    43 S   OM   _O40    40     1.26853   125.66069   177.66401
   45    38 S   CT   _C25   103     1.52000   115.33697   -75.79264
   46    45 S   HC   _H29   104     1.09472   110.32574   -69.53635
   47    45 S   HC   _H30   105     1.09427   113.40887   170.18985
   48    45 S   HC   _H31   106     1.09451   110.81396    50.72272
   49    43 S   OS   _O39    41     1.41312   111.52469    -5.06454
   50    49 S   CT   _C14    42     1.43070   116.80372   138.22838
   51    50 S   HC   _H6_    43     1.09651   112.77664    46.14788
   52    50 S   CM   _C15    44     1.50174   107.62223   166.83565
   53    52 S   CM   _C16    45     1.34601   112.92189   121.64731
   54    52 S   CT   _C22    99     1.49471   118.05878   -58.08655
   55    54 S   HC   _H26   100     1.09448   109.98727   -71.10609
   56    54 S   HC   _H27   101     1.09092   113.07526   167.76090
   57    54 S   HC   _H28   102     1.09417   110.81561    48.24246
   58    53 S   CT   _C12    46     1.51109   111.29566     1.39325
   59    58 S   HC   _H5_    47     1.09729   107.25244   105.50838
   60    53 S   CT   _C17    58     1.50328   126.47975  -179.16397
   61    60 S   HC   _H7_    59     1.09807   106.88289    74.81027
   62    50 S   CT   _C13    48     1.52772   110.38423   -80.64192
   63    62 S   HC   _H19    49     1.09744   109.74004   117.14944
   64    62 S   HC   _H20    50     1.09500   111.34950     0.12511
   65    58 S   CT   _C11    51     1.55685   117.37220  -132.08840
   66    60 S   OS   _O36    60     1.44225   110.63871   -40.60348
   67    65 S   CT   _C10    52     1.55118   113.53542   -76.41383
   68    67 S   HC   _H17    53     1.09613   109.16997   -60.09512
   69    67 S   HC   _H18    54     1.09927   107.22107  -172.39326
   70    66 S   CO4  _C20    61     1.36684   109.59244  -158.13964
   71    70 S   O    _O35    62     1.22137   124.37705  -173.07740
   72    65 S   CT   _C28    88     1.54041   111.89803    50.10538
   73    72 S   HC   _H35    89     1.09474   111.31065    63.90507
   74    72 S   HC   _H36    90     1.09148   113.42417   -57.74508
   75    72 S   HC   _H37    91     1.09603   110.37596  -179.40226
   76    65 S   OS   _O41    92     1.47479   110.16874   163.39093
   77    67 S   CT   _C9_    55     1.53883   119.45115    64.06341
   78    77 S   HC   _H4_    56     1.09883   105.96810  -176.00669
   79    82 S   CT   _C19    63     1.54768   114.88028  -170.73898
   80    76 S   CO4  _C29    93     1.36051   122.92576    58.46035
   81    80 S   O    _O42    94     1.22225   127.07318     0.11364
   82    77 S   CT   _C18    57     1.54531   114.72790   -59.02888
   83    79 S   CT   _C21    64     1.52290   115.51043    80.17516
   84    83 S   HC   _H21    65     1.09495   110.87466   -60.24494
   85    83 S   HC   _H22    66     1.09647   110.74593  -178.15199
   86    83 S   HC   _H23    67     1.09464   112.39990    61.82454
   87    79 S   OH   _O37    68     1.41956   111.92323   -45.87440
   88    87 S   HO   _H24    69     0.97357   108.82680  -169.62519
   89    77 S   OS   _O34    72     1.44187   109.96825    66.88984
   90    80 S   CT   _C30    95     1.49882   109.17025  -179.55413
   91    90 S   HC   _H38    96     1.09293   109.84846   -60.37993
   92    90 S   HC   _H39    97     1.09379   109.37835  -179.39737
   93    90 S   HC   _H40    98     1.09297   109.79461    61.53520
   94    82 S   OH   _O38    70     1.43589   109.60996   -48.81244
   95    94 S   HO   _H25    71     0.97258   108.45509   -47.81119
   96    89 S   CO4  _C8_    73     1.36447   117.73877    84.58520
   97    96 S   O    _O33    74     1.22444   125.91889    -1.24017
   98    96 S   CT   _C6_    75     1.51776   109.95078   179.30536
   99    98 S   HC   _H3_    76     1.09648   109.14392    -6.79823
  100    98 S   CT   _C7_    77     1.52644   108.57381   111.24211
  101   100 S   HC   _H14    78     1.09574   111.43286    60.19251
  102   100 S   HC   _H15    79     1.09430   110.90619  -179.47923
  103   100 S   HC   _H16    80     1.09457   110.89854   -59.43154
  104    98 S   CT   _C5_    81     1.53481   110.95981  -126.87851
  105   104 S   HC   _H12    82     1.09698   109.25756  -174.63531
  106   104 S   HC   _H13    83     1.09697   110.44087   -57.38489
  107   104 S   CT   _C4_    84     1.52242   112.96046    64.71134
  108   107 S   HC   _H9_    85     1.09408   111.40097   -64.29879
  109   107 S   HC   _H10    86     1.09469   110.06163   176.32662
  110   107 S   HC   _H11    87     1.09383   111.09502    56.79250
  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  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  15  21   6   2   1   1  19   8  16   6   6   2   1
  15   8  15   7   6  11   4   6   3   2   1   7  11   5  10   5
   4  10   6   3   2   1   2   1   7   3   2   1   1   1   1  11
   4  12   8   7   3   2   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    62    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    58    62    63    64    54  
   51    52    53    58    59    62    63    64    65    60    54    55    56    57  
   52    53    58    62    63    64    54  
   53    58    59    62    63    64    65    82    60    61    66    54    55    56    57  
   58    59    62    63    64    65    67    77    82    60    61    66    70    79    94    72    76    54    55    56    57  
   55    56    57    58    60    62  
   56    57  
   57  
    0  
   59    62    63    64    65    67    68    69    77    82    60    61    66    72    73    74    75    76    80  
   62    63    64    65    67    60    72    76  
   61    66    70    71    79    83    87    94    95    89    62    65    67    77    78    82  
   66    70    79    94    77    82  
   63    64    65    67    72    76  
   64    65  
   65  
   67    68    69    77    78    82    89    72    73    74    75    76    80    81    90  
   70    71    79    83    87    94    77    82  
   68    69    77    78    82    79    94    89    96    72    73    74    75    76    80  
   69    77    78    82    89    72    76  
   77    78    82    89    72    76  
   71    79    83    84    85    86    87    88    94    77    82  
   79    83    87    82  
   73    74    75    76    80    77  
   74    75    76  
   75    76  
   76  
   80    81    90    91    92    93    77  
   78    82    79    83    87    94    95    89    96    97    98  
   82    79    94    89    96  
   83    84    85    86    87    88    94    95    89    82  
   81    90    91    92    93  
   90    91    92    93  
   83    84    85    86    87    88    94    95    89    96  
   84    85    86    87    88    94  
   85    86    87  
   86    87  
   87  
   88    94  
    0  
   96    97    98    99   100   104    94  
   91    92    93  
   92    93  
   93  
    0  
   95  
    0  
   97    98    99   100   101   102   103   104   105   106   107  
   98    99   100   104  
   99   100   101   102   103   104   105   106   107   108   109   110  
  100   101   102   103   104   105   106   107  
  101   102   103   104   105   106   107  
  102   103   104  
  103   104  
  104  
  105   106   107   108   109   110  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.060000   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   83   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    62   268.000  1.529
   52    53   549.000  1.340
   52    54   317.000  1.510
   53    58   317.000  1.510
   53    60   317.000  1.510
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   65    67   268.000  1.529
   65    72   268.000  1.529
   65    76   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    89   320.000  1.410
   82    60   268.000  1.529
   82    79   268.000  1.529
   82    94   320.000  1.410
   60    61   340.000  1.090
   60    66   320.000  1.410
   66    70   214.000  1.327
   70    71   570.000  1.229
   70    79   317.000  1.522
   79    83   268.000  1.529
   79    87   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   553.000  0.945
   94    95   553.000  0.945
   89    96   214.000  1.327
   96    97   570.000  1.229
   96    98   317.000  1.522
   98    99   340.000  1.090
   98   100   268.000  1.529
   98   104   268.000  1.529
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    80   214.000  1.327
   80    81   570.000  1.229
   80    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    62    50.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    54    65.00000  117.92700
   50    62    58    58.35000  112.70000
   50    62    63    37.50000  110.70000
   50    62    64    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    53    58    70.00000  124.00000
   52    53    60    70.00000  124.00000
   52    54    55    35.00000  109.50000
   52    54    56    35.00000  109.50000
   52    54    57    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    62    70.00000  112.02700
   53    58    65    70.00000  112.02700
   53    60    82    70.00000  112.02700
   53    60    61    35.00000  109.50000
   53    60    66    85.00000  110.90400
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    65    67    58.35000  112.70000
   58    65    72    58.35000  112.70000
   58    65    76    50.00000  109.50000
   62    50    51    37.50000  110.70000
   62    50    52    70.00000  112.02700
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    62    58.35000  112.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    77    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    80    83.00000  116.90000
   67    77    78    37.50000  110.70000
   67    77    82    58.35000  112.70000
   67    77    89    50.00000  109.50000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    82    60    58.35000  112.70000
   77    82    79    58.35000  112.70000
   77    82    94    50.00000  109.50000
   77    89    96    83.00000  116.90000
   82    77    78    37.50000  110.70000
   82    60    61    37.50000  110.70000
   82    60    66    50.00000  109.50000
   82    79    70    63.00000  111.10000
   82    79    83    58.35000  112.70000
   82    79    87    50.00000  109.50000
   82    94    95    55.00000  108.50000
   60    53    58    65.00000  117.92700
   60    66    70    83.00000  116.90000
   66    60    61    35.00000  109.50000
   66    70    71    83.00000  123.40000
   66    70    79    81.00000  111.40000
   70    79    83    63.00000  111.10000
   70    79    87    90.00000  109.61100
   79    82    60    58.35000  112.70000
   79    70    71    80.00000  120.40000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    86    37.50000  110.70000
   79    87    88    55.00000  108.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    79    83    50.00000  109.50000
   94    82    60    50.00000  109.50000
   94    82    79    50.00000  109.50000
   89    77    78    35.00000  109.50000
   89    77    82    50.00000  109.50000
   89    96    97    83.00000  123.40000
   89    96    98    81.00000  111.40000
   96    98    99    35.00000  109.50000
   96    98   100    63.00000  111.10000
   96    98   104    63.00000  111.10000
   98    96    97    80.00000  120.40000
   98   100   101    37.50000  110.70000
   98   100   102    37.50000  110.70000
   98   100   103    37.50000  110.70000
   98   104   105    37.50000  110.70000
   98   104   106    37.50000  110.70000
   98   104   107    58.35000  112.70000
  100    98    99    37.50000  110.70000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    98    99    37.50000  110.70000
  104    98   100    58.35000  112.70000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
   72    65    67    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    67    50.00000  109.50000
   76    65    72    50.00000  109.50000
   76    80    81    83.00000  123.40000
   76    80    90    81.00000  111.40000
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   80    90    93    35.00000  109.50000
   90    80    81    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   54    52    53    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
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   99    98   104   107   0.15000  1.0 3.0
  100    98   104   105   0.15000  1.0 3.0
  100    98   104   106   0.15000  1.0 3.0
  100    98   104   107   0.56750  1.0 1.0
  100    98   104   107  -0.07550 -1.0 2.0
  100    98   104   107   0.20000  1.0 3.0
  104    98   100   101   0.15000  1.0 3.0
  104    98   100   102   0.15000  1.0 3.0
  104    98   100   103   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   110   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   110   0.15000  1.0 3.0
   72    65    67    68   0.15000  1.0 3.0
   72    65    67    69   0.15000  1.0 3.0
   72    65    67    77   0.56750  1.0 1.0
   72    65    67    77  -0.07550 -1.0 2.0
   72    65    67    77   0.20000  1.0 3.0
   72    65    76    80  -0.25900  1.0 1.0
   72    65    76    80  -0.47000 -1.0 2.0
   72    65    76    80   0.11750  1.0 3.0
   76    65    67    68   0.23400  1.0 3.0
   76    65    67    69   0.23400  1.0 3.0
   76    65    67    77   0.62750  1.0 1.0
   76    65    67    77  -0.30950 -1.0 2.0
   76    65    67    77   0.27300  1.0 3.0
   76    65    72    73   0.23400  1.0 3.0
   76    65    72    74   0.23400  1.0 3.0
   76    65    72    75   0.23400  1.0 3.0
   76    80    90    91   0.00000  1.0 1.0
   76    80    90    92   0.00000  1.0 1.0
   76    80    90    93   0.00000  1.0 1.0
   81    80    90    91   0.00000  1.0 1.0
   81    80    90    92   0.00000  1.0 1.0
   81    80    90    93   0.00000  1.0 1.0
   54    52    53    58   7.00000 -1.0 2.0
   54    52    53    60   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    54    52    53   1.10000 -1.0 2.0
   58    60    53    52   1.10000 -1.0 2.0
   66    79    70    71  10.50000 -1.0 2.0
   89    98    96    97  10.50000 -1.0 2.0
   76    90    80    81  10.50000 -1.0 2.0
END
