* LIGAND DATABASE FILE (OPLS2005)
*
001     100   106    200    335     595
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02138    87.06026   -73.75499
    3     1 S   H    _H1_     3     1.02027    93.31992    34.82405
    4     1 S   H    _H2_     4     1.02123    33.20913   154.65410
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C15    36     1.83334    97.76187  -158.15183
   34    33 S   HC   _H3_    37     1.10237   108.90476    38.86694
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.51078   109.05160   -80.02585
   39    38 S   CMA  _C11    39     1.35165   112.47733  -101.71906
   40    39 S   OM   _O28    40     1.25733   133.75022   179.04653
   41    38 S   CT   _C27    97     1.49504   120.18167    79.77939
   42    41 S   HC   _H53    98     1.08933   109.76185   -91.70931
   43    41 S   HC   _H54    99     1.08942   109.76085   148.07176
   44    41 S   HC   _H55   100     1.08962   109.74649    28.43080
   45    39 S   CT   _C23    41     1.54777   108.88215     2.57177
   46    33 S   CT   _C16    42     1.56057   118.46145   166.84824
   47    46 S   HC   _H47    43     1.10876   102.76925  -173.20809
   48    45 S   CT   _C21    85     1.54534   122.89344  -147.98345
   49    48 S   HC   _H52    86     1.08329   111.84189    81.44926
   50    45 S   OH   _O36    95     1.43930   105.13017    88.09869
   51    50 S   HO   _H65    96     0.96504   105.66610    59.98800
   52    46 S   CT   _C25    44     1.59107   121.82750   -61.52275
   53    48 S   OH   _O35    87     1.42740   112.42246   -37.66164
   54    53 S   HO   _H64    88     0.96917   106.42189    60.00557
   55    52 S   CT   _C17    45     1.55069   118.27259   105.69411
   56    55 S   HC   _H48    46     1.09780   107.49960   -73.41700
   57    52 S   OS   _O34    73     1.47442   106.03729  -135.74541
   58    55 S   CT   _C19    47     1.56692   107.30005   169.96589
   59    58 S   HC   _H50    48     1.09542   110.83084   170.42710
   60    55 S   C3T  _C20    82     1.52059   120.36232    47.73241
   61    60 S   HC   _H51    83     1.08685   109.88410  -166.14434
   62    58 S   CT   _C24    49     1.54091   114.98857    38.68935
   63    60 S   C3T  _C26    84     1.51974   130.54849    -6.69852
   64    62 S   CT   _C14    50     1.51410   111.82705    23.22490
   65    64 S   HC   _H44    51     1.09784   111.15288   177.40875
   66    64 S   HC   _H45    52     1.09835   109.68545    60.22948
   67    62 S   OS   _O33    59     1.44413   105.04856   -91.03818
   68    62 S   CM   _C13    74     1.49508   112.74587   151.09039
   69    60 S   O3T  _O30    89     1.44734   115.39316    60.22739
   70    63 S   CT   _C30    90     1.49705   114.77570  -161.34825
   71    70 S   HC   _H62    91     1.09994   111.32481   -40.08556
   72    70 S   HC   _H63    92     1.09999   111.36196  -160.94493
   73    52 S   CT   _C18    53     1.59454   109.07496   -20.15087
   74    73 S   HC   _H49    54     1.08736   109.41465    45.58080
   75    67 S   CO   _C22    60     1.42822   104.02953     9.23553
   76    68 S   CM   _C12    75     1.34063   121.92542   112.42631
   77    76 S   HC   _H42    76     1.08574   121.35442  -179.98022
   78    76 S   HC   _H43    77     1.08449   121.36929     0.03956
   79    68 S   CT   _C28    78     1.49996   116.15058   -67.55680
   80    79 S   HC   _H56    79     1.09421   110.30313   -89.98564
   81    79 S   HC   _H57    80     1.09544   110.29604    29.91073
   82    79 S   HC   _H58    81     1.09518   112.11164   149.91186
   83    70 S   OH   _O37    93     1.42513   109.69341    79.45384
   84    83 S   HO   _H66    94     0.96974   106.54369  -180.00000
   85    73 S   CT   _C29    55     1.54144   113.71087   -72.28622
   86    85 S   HC   _H59    56     1.08355   109.12370   -60.00723
   87    85 S   HC   _H60    57     1.08387   109.11526   180.00000
   88    85 S   HC   _H61    58     1.08375   109.09376    60.02729
   89    75 S   CA   _C9_    61     1.51303   110.52341  -156.52520
   90    58 S   OS   _O29    72     1.43770   105.58015   -71.02969
   91    89 S   CA   _C7_    62     1.39501   119.94205   -36.13001
   92    91 S   HA   _H40    63     1.08707   120.53767     0.09279
   93    91 S   CA   _C5_    64     1.39518   119.99354  -179.93744
   94    93 S   HA   _H38    65     1.08568   119.98859  -179.87967
   95    93 S   CA   _C4_    66     1.39449   119.98408    -0.00000
   96    95 S   HA   _H37    67     1.08621   120.01172  -179.90109
   97    95 S   CA   _C6_    68     1.39557   120.01617     0.05595
   98    97 S   HA   _H39    69     1.08569   119.98687  -179.96044
   99    89 S   CA   _C8_    70     1.39472   120.06040   143.99030
  100    99 S   HA   _H41    71     1.08735   120.49340    -0.11191
  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
  17   7   2   1   1  12  15   5   5   2   1   1  16  18   6  15
   7   4   1  23   5   1  18  10  13  17   7  10   3  18   6  14
   6   5   9  10   4   4   3   2   6   4   8   6   2   1   3   2
   1   1   1   1   3   2   1   1  10   2   8   4   6   3   5   3
   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    45    46    47    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    46    47    52    55    73    57    48    50    41    42    43    44  
   38    39    45    46    47    52    41  
   36    37  
   37  
    0  
   39    40    45    46    47    52    48    50    41    42    43    44  
   40    45    46    47    52    63    48    49    53    50    51    41    42    43    44  
   45    46    48    50    41  
   42    43    44    45    46  
   43    44  
   44  
    0  
   46    47    52    55    73    57    60    63    48    49    53    54    69    70    50    51  
   47    52    55    56    58    64    73    74    85    75    57    60    63    48    49    53    50    51  
   52    55    73    57    48    50  
   49    53    54    69    70    71    72    83    50    51    52    55    60    61    63  
   53    54    69    70    50    60    63  
   51    52    53    63  
    0  
   55    56    58    59    62    64    65    66    73    74    85    86    87    88    67    75    89    90    57    60    61    63    69  
   54    69    70    60    63  
   63  
   56    58    59    62    64    73    74    85    67    75    90    57    68    60    61    63    69    70  
   58    59    62    73    90    57    60    61    63    69  
   60    58    62    64    67    73    74    75    85    89    90    91    99  
   59    62    64    65    66    73    67    75    89    90    68    76    79    60    61    63    69  
   62    64    67    75    90    68    60  
   61    63    69    70    71    72    83    62    73    90  
   63    69    70  
   64    65    66    73    74    85    67    75    89    90    68    76    77    78    79    80    81    82  
   69    70    71    72    83    84  
   65    66    73    74    85    86    87    88    67    75    90    68    76    79  
   66    73    74    85    67    68  
   73    74    85    67    68  
   75    89    91    99    90    68    76    79    73  
   76    77    78    79    80    81    82    73    75    90  
   70    71    72    83  
   71    72    83    84  
   72    83    84  
   83    84  
   74    85    86    87    88    75  
   85    86    87    88  
   89    91    92    93    97    99   100    90  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
   91    92    93    94    95    97    98    99   100    90  
   91    99  
   92    93    94    95    96    97    99   100  
   93    94    95    99  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100  
   97    98    99  
   98    99   100  
   99   100  
  100  
    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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.715000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   90   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   91   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   94   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   95   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   96   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   97   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   99   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    46   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   268.000  1.529
   45    48   268.000  1.529
   45    50   320.000  1.410
   46    47   340.000  1.090
   46    52   268.000  1.529
   52    55   268.000  1.529
   52    73   268.000  1.529
   52    57   320.000  1.410
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    60   275.000  1.510
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    90   320.000  1.410
   62    64   268.000  1.529
   62    67   320.000  1.410
   62    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   268.000  1.529
   73    74   340.000  1.090
   73    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   67    75   320.000  1.380
   75    89   270.000  1.504
   75    90   320.000  1.380
   75    57   320.000  1.380
   89    91   469.000  1.400
   89    99   469.000  1.400
   91    92   367.000  1.080
   91    93   469.000  1.400
   93    94   367.000  1.080
   93    95   469.000  1.400
   95    96   367.000  1.080
   95    97   469.000  1.400
   97    98   367.000  1.080
   97    99   469.000  1.400
   99   100   367.000  1.080
   68    76   549.000  1.340
   68    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   60    61   340.000  1.088
   60    63   260.000  1.509
   60    69   335.000  1.432
   63    48   275.000  1.510
   63    69   335.000  1.432
   63    70   275.000  1.510
   48    49   340.000  1.090
   48    53   320.000  1.410
   53    54   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    83   320.000  1.410
   83    84   553.000  0.945
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    46    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    46    45    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    52    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    70.00000  112.02700
   39    45    48    70.00000  112.02700
   39    45    50    90.00000  110.39200
   45    39    40    85.00000  112.85300
   45    46    47    37.50000  110.70000
   45    46    52    58.35000  112.70000
   45    48    63    70.00000  112.37300
   45    48    49    37.50000  110.70000
   45    48    53    50.00000  109.50000
   45    50    51    55.00000  108.50000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    52    55    58.35000  112.70000
   46    52    73    58.35000  112.70000
   46    52    57    50.00000  109.50000
   52    46    47    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    58    58.35000  112.70000
   52    55    60    70.00000  112.37300
   52    73    64    58.35000  112.70000
   52    73    74    37.50000  110.70000
   52    73    85    58.35000  112.70000
   52    57    75    60.00000  109.50000
   55    58    59    37.50000  110.70000
   55    58    62    58.35000  112.70000
   55    58    90    50.00000  109.50000
   55    60    61    40.00000  115.04500
   55    60    63    60.00000  120.94000
   55    60    69    80.00000  116.47100
   58    55    56    37.50000  110.70000
   58    62    64    58.35000  112.70000
   58    62    67    50.00000  109.50000
   58    62    68    70.00000  112.02700
   58    90    75    60.00000  109.50000
   62    58    59    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    73    58.35000  112.70000
   62    67    75    60.00000  109.50000
   62    68    76    70.00000  124.00000
   62    68    79    65.00000  117.92700
   64    73    74    37.50000  110.70000
   64    73    85    58.35000  112.70000
   66    64    65    33.00000  107.80000
   73    52    55    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    66    37.50000  110.70000
   73    85    86    37.50000  110.70000
   73    85    87    37.50000  110.70000
   73    85    88    37.50000  110.70000
   85    73    74    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   67    62    64    50.00000  109.50000
   67    75    89    90.00000  107.97000
   67    75    90    92.60000  111.55000
   67    75    57    92.60000  111.55000
   75    89    91    60.00000  120.68000
   75    89    99    60.00000  120.68000
   89    91    92    35.00000  120.00000
   89    91    93    63.00000  120.00000
   89    99    97    63.00000  120.00000
   89    99   100    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    63.00000  120.00000
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  120.00000
   93    95    97    63.00000  120.00000
   95    93    94    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    63.00000  120.00000
   97    95    96    35.00000  120.00000
   97    99   100    35.00000  120.00000
   99    89    91    63.00000  120.00000
   99    97    98    35.00000  120.00000
   90    58    59    35.00000  109.50000
   90    58    62    50.00000  109.50000
   90    75    89    90.00000  107.97000
   57    52    55    50.00000  109.50000
   57    52    73    50.00000  109.50000
   57    75    89    90.00000  107.97000
   57    75    90    92.60000  111.55000
   68    62    64    70.00000  112.02700
   68    62    67    85.00000  110.90400
   68    76    77    35.00000  120.00000
   68    76    78    35.00000  120.00000
   68    79    80    35.00000  109.50000
   68    79    81    35.00000  109.50000
   68    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    68    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   60    55    56    45.00000  109.38400
   60    55    58    70.00000  112.37300
   60    63    48    60.00000  120.94000
   60    63    69    15.00000   60.43100
   60    63    70    60.00000  120.94000
   60    69    63    15.00000   59.14900
   63    60    61    37.50000  117.20000
   63    48    49    45.00000  109.38400
   63    48    53    50.00000  109.50000
   63    70    71    45.00000  109.38400
   63    70    72    45.00000  109.38400
   63    70    83    50.00000  109.50000
   48    45    46    58.35000  112.70000
   48    53    54    55.00000  108.50000
   53    48    49    35.00000  109.50000
   69    60    61    50.00000  114.27700
   69    60    63    15.00000   60.43100
   69    63    48    80.00000  116.47100
   70    63    48    58.35000  112.70000
   70    63    69    80.00000  116.47100
   70    83    84    55.00000  108.50000
   72    70    71    33.00000  107.80000
   83    70    71    35.00000  109.50000
   83    70    72    35.00000  109.50000
   50    45    46    50.00000  109.50000
   50    45    48    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
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   57    75   -90    58   0.33750  1.0 3.0
   68    62    64    65   0.15000  1.0 3.0
   68    62    64    66   0.15000  1.0 3.0
   68    62    64    73   0.34400  1.0 1.0
   68    62    64    73   0.09450 -1.0 2.0
   68    62    64    73   0.11100  1.0 3.0
   68    62    67    75  -0.77900  1.0 1.0
   68    62    67    75  -0.36900 -1.0 2.0
   68    62    67    75   0.40400  1.0 3.0
   76    68    79    80   0.00000  1.0 1.0
   76    68    79    81   0.00000  1.0 1.0
   76    68    79    82   0.00000  1.0 1.0
   79    68    76    77   7.00000 -1.0 2.0
   79    68    76    78   7.00000 -1.0 2.0
   60    55    58    59   0.15000  1.0 3.0
   60    55    58    62   0.47050  1.0 1.0
   60    55    58    62   0.03900 -1.0 2.0
   60    55    58    62   0.20100  1.0 3.0
   60    55    58    90  -0.26800  1.0 1.0
   60    55    58    90   0.69150 -1.0 2.0
   60    55    58    90  -0.48750  1.0 3.0
   60    63    48    45   0.07850  1.0 1.0
   60    63    48    45  -0.03950 -1.0 2.0
   60    63    48    45   0.67350  1.0 3.0
   60    63    48    49   0.15000  1.0 3.0
   60    63    48    53   0.86500  1.0 1.0
   60    63    48    53  -0.17500 -1.0 2.0
   60    63    48    53   0.20800  1.0 3.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    83   0.86500  1.0 1.0
   60    63    70    83  -0.17500 -1.0 2.0
   60    63    70    83   0.20800  1.0 3.0
   61    60    63    48   0.15000  1.0 3.0
   61    60   -63    69   0.23400  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60   -69    63   0.36800  1.0 3.0
   63    48    53    54  -0.11600  1.0 1.0
   63    48    53    54  -0.09450 -1.0 2.0
   63    48    53    54   0.21250  1.0 3.0
   63    70    83    84  -0.11600  1.0 1.0
   63    70    83    84  -0.09450 -1.0 2.0
   63    70    83    84   0.21250  1.0 3.0
   48    45    46    33   0.56750  1.0 1.0
   48    45    46    33  -0.07550 -1.0 2.0
   48    45    46    33   0.20000  1.0 3.0
   48    45    46    47   0.15000  1.0 3.0
   48    45    46    52   0.56750  1.0 1.0
   48    45    46    52  -0.07550 -1.0 2.0
   48    45    46    52   0.20000  1.0 3.0
   48    45    50    51  -0.11600  1.0 1.0
   48    45    50    51  -0.09450 -1.0 2.0
   48    45    50    51   0.21250  1.0 3.0
   48    63   -69    60   0.06250  1.0 1.0
   48    63   -69    60  -0.01100 -1.0 2.0
   48    63   -69    60   0.28050  1.0 3.0
   48    63    70    71   0.15000  1.0 3.0
   48    63    70    72   0.15000  1.0 3.0
   48    63    70    83   0.86500  1.0 1.0
   48    63    70    83  -0.17500 -1.0 2.0
   48    63    70    83   0.20800  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   69    60   -63    48   0.02550  1.0 1.0
   69    60   -63    48  -0.02600 -1.0 2.0
   69    60   -63    48   1.20400  1.0 3.0
   69    60   -63    70   0.02550  1.0 1.0
   69    60   -63    70  -0.02600 -1.0 2.0
   69    60   -63    70   1.20400  1.0 3.0
   69    63    48    45   0.02550  1.0 1.0
   69    63    48    45  -0.02600 -1.0 2.0
   69    63    48    45   1.20400  1.0 3.0
   69    63    48    49   0.23400  1.0 3.0
   69    63    48    53   3.69350  1.0 1.0
   69    63    48    53  -1.82950 -1.0 2.0
   69    63    70    71   0.23400  1.0 3.0
   69    63    70    72   0.23400  1.0 3.0
   69    63    70    83   3.69350  1.0 1.0
   69    63    70    83  -1.82950 -1.0 2.0
   70    63    48    45   0.56750  1.0 1.0
   70    63    48    45  -0.07550 -1.0 2.0
   70    63    48    45   0.20000  1.0 3.0
   70    63    48    49   0.15000  1.0 3.0
   70    63    48    53   0.86500  1.0 1.0
   70    63    48    53  -0.17500 -1.0 2.0
   70    63    48    53   0.20800  1.0 3.0
   70    63   -69    60   0.06250  1.0 1.0
   70    63   -69    60  -0.01100 -1.0 2.0
   70    63   -69    60   0.28050  1.0 3.0
   71    70    83    84   0.19450  1.0 3.0
   72    70    83    84   0.19450  1.0 3.0
   50    45    46    33   0.86500  1.0 1.0
   50    45    46    33  -0.17500 -1.0 2.0
   50    45    46    33   0.20800  1.0 3.0
   50    45    46    47   0.23400  1.0 3.0
   50    45    46    52   0.86500  1.0 1.0
   50    45    46    52  -0.17500 -1.0 2.0
   50    45    46    52   0.20800  1.0 3.0
   50    45    48    63   0.86500  1.0 1.0
   50    45    48    63  -0.17500 -1.0 2.0
   50    45    48    63   0.20800  1.0 3.0
   50    45    48    49   0.23400  1.0 3.0
   50    45    48    53   3.75450  1.0 1.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
   91    99    89    75   4.00000 -1.0 2.0
   93    92    91    89   1.10000 -1.0 2.0
   95    94    93    91   1.10000 -1.0 2.0
   97    96    95    93   1.10000 -1.0 2.0
   99    98    97    95   1.10000 -1.0 2.0
   97   100    99    89   1.10000 -1.0 2.0
   62    79    68    76  15.00000 -1.0 2.0
   77    78    76    68  15.00000 -1.0 2.0
END
