* LIGAND DATABASE FILE (OPLS2005)
*
001     101   105    207    337     622
    1     0 S   NP   _N1_     1    28.69461    95.32360   -22.76141
    2     1 S   H    _HN1     2     1.02783    99.75901   -94.67363
    3     1 S   H    _H1_     3     1.02951    80.67111    12.52150
    4     1 S   H    _H2_     4     1.02829    32.33563   157.20111
    5     1 S   CT   _CA1     5     1.50117   139.44516   123.08266
    6     5 S   HC   _HA1     6     1.09573   105.20355    77.93538
    7     5 S   CO3  _C1_     7     1.53793   112.42974   -42.30339
    8     7 S   O2Z  _O11     8     1.26371   115.00545   -42.85684
    9     7 S   O2Z  _O12     9     1.26237   114.95012   136.25522
   10     5 S   CT   _CB1    10     1.53080   107.41925  -164.08301
   11    10 S   HC   HB11    11     1.09831   109.38694   -49.72658
   12    10 S   HC   HB12    12     1.09814   110.43659    66.88006
   13    10 S   CT   _CG1    13     1.52988   112.60926  -170.71469
   14    13 S   HC   HG11    14     1.09586   110.59729   -65.04585
   15    13 S   HC   HG12    15     1.09667   109.82838    54.19023
   16    13 S   C    _CD1    16     1.51799   112.24846   174.63451
   17    16 S   O    _OE1    17     1.22732   123.29380     5.23716
   18    16 S   N    _N2_    18     1.38647   111.64928  -174.87581
   19    18 S   H    _HN2    19     1.01588   118.98874     1.70903
   20    18 S   CT1  _CA2    20     1.46205   123.38578   178.18868
   21    20 S   HC   _HA2    21     1.09746   109.36253     1.04549
   22    20 S   C    _C2_    22     1.53555   108.70420  -114.40443
   23    22 S   O    _O2_    23     1.23062   122.27272  -148.98045
   24    20 S   CT   _CB2    32     1.53592   111.61052   122.99125
   25    24 S   HC   HB21    33     1.09396   109.18281    55.97236
   26    24 S   HC   HB22    34     1.09092   109.43858   174.41601
   27    22 S   N    _N3_    24     1.38328   113.71309    38.55535
   28    27 S   H    _HN3    25     1.01592   119.56484    -3.50788
   29    24 S   S    _SG2    35     1.82965   110.81517   -64.25796
   30    27 S   CT   _CA3    26     1.45284   123.18327   177.04799
   31    30 S   HC   HA31    27     1.09550   107.52770   -64.10327
   32    30 S   HC   HA32    28     1.09558   107.95769    52.32154
   33    29 S   CT   _C21    36     1.91218   104.85100  -168.47200
   34    30 S   CO3  _C3_    29     1.52950   114.10560   174.31752
   35    34 S   O2Z  _O31    30     1.26374   116.07398    -0.27483
   36    34 S   O2Z  _O32    31     1.26431   114.40864   179.77445
   37    33 S   CT   _C7_    37     1.54501   109.55756   -33.90916
   38    37 S   HC   _H33    38     1.09518   111.34360   174.80627
   39    37 S   HC   _H34    39     1.09352   112.33812    57.63642
   40    33 S   CT   _C16    88     1.57108   109.06147    88.87370
   41    40 S   HC   _H48    89     1.09758   107.36372  -179.91607
   42    37 S   CO4  _C4_    40     1.51672   112.40049   -64.53531
   43    42 S   O    _O26    41     1.23212   120.95067   138.52719
   44    40 S   CT   _C24    90     1.53489   116.29398   -63.37460
   45    44 S   HC   _H53    91     1.09361   112.17971    70.91219
   46    44 S   HC   _H54    92     1.09295   111.99001   -52.18111
   47    44 S   HC   _H55    93     1.09654   109.93288  -170.60824
   48    42 S   CT   _C6_    42     1.50935   117.96626   -47.78751
   49    48 S   HC   _H31    43     1.09593   108.58364   163.24349
   50    48 S   HC   _H32    44     1.09505   107.74589   -80.94608
   51    48 S   CT   _C8_    45     1.52683   113.16887    42.04162
   52    51 S   HC   _H35    46     1.09606   109.12172    77.85302
   53    51 S   HC   _H36    47     1.09677   107.16895  -168.57169
   54    33 S   CT   _C19    48     1.61229   109.05308  -152.84564
   55    54 S   CT   _C13    49     1.58103   109.71405   -60.96713
   56    55 S   HC   _H45    50     1.09787   107.46600    59.61795
   57    54 S   CT   _C25    98     1.56372   112.04366   178.16240
   58    57 S   HC   _H56    99     1.09163   113.27813    64.94337
   59    57 S   HC   _H57   100     1.09263   112.94193   -56.10678
   60    57 S   HC   _H58   101     1.09518   111.14667  -174.63447
   61    55 S   CT   _C9_    51     1.55273   115.04485   174.60635
   62    61 S   HC   _H37    52     1.09362   110.80461    56.72121
   63    61 S   HC   _H38    53     1.09558   109.83189   -60.53106
   64    61 S   CT   _C10    54     1.54144   113.25485   179.60140
   65    64 S   HC   _H39    55     1.09715   108.21446    68.29254
   66    64 S   HC   _H40    56     1.09503   108.74653  -176.58505
   67    64 S   CT   _C20    57     1.53835   112.07159   -53.75619
   68    67 S   CT   _C15    58     1.55076   106.87241    56.34791
   69    68 S   HC   _H47    59     1.10088   108.48734    55.26031
   70    67 S   CT   _C26    94     1.55221   109.73789   -66.93563
   71    70 S   HC   _H59    95     1.09465   112.44224  -178.01604
   72    70 S   HC   _H60    96     1.09276   113.01969    60.95906
   73    70 S   HC   _H61    97     1.09587   110.64848   -58.26215
   74    68 S   CT   _C12    60     1.52729   103.80381   167.77985
   75    74 S   HC   _H43    61     1.09586   110.21804    83.91945
   76    74 S   HC   _H44    62     1.09476   111.87526  -155.69580
   77    55 S   CT   _C14    83     1.55892   111.64803   -57.17498
   78    77 S   HC   _H46    84     1.09409   109.70322   -64.93077
   79    74 S   CT   _C17    63     1.54196   104.07842   -34.07085
   80    79 S   HC   _H49    64     1.09430   109.26756   133.71231
   81    77 S   CT   _C11    85     1.53483   112.14279    53.38253
   82    81 S   HC   _H41    86     1.09702   109.79859    72.85120
   83    81 S   HC   _H42    87     1.09803   108.62606  -172.09667
   84    67 S   CT   _C18    65     1.55523   116.68110   167.08653
   85    84 S   OS   _O29    66     1.42841   111.66151   -42.64254
   86    84 S   CO4  _C5_    77     1.53468   114.90697    80.94781
   87    86 S   O    _O27    78     1.23249   122.03981   104.54331
   88    85 S   CO   _C22    67     1.42985   107.05416  -133.25757
   89    86 S   CT   _C23    79     1.50855   118.03057   -72.60278
   90    89 S   HC   _H50    80     1.09152   109.71515    83.72406
   91    89 S   HC   _H51    81     1.09200   110.90711   -38.14006
   92    89 S   HC   _H52    82     1.09397   109.16615  -156.76586
   93    79 S   OS   _O28    68     1.42504   110.79286  -107.01598
   94    88 S   CT   _C27    69     1.52607   109.32664  -104.22806
   95    94 S   HC   _H62    70     1.09526   110.97702    62.61213
   96    94 S   HC   _H63    71     1.09503   111.25631   -56.67531
   97    94 S   HC   _H64    72     1.09523   111.22184  -178.65914
   98    88 S   CT   _C28    73     1.52375   108.86388   135.05907
   99    98 S   HC   _H65    74     1.09517   110.78696   -61.41075
  100    98 S   HC   _H66    75     1.09515   111.29630   179.81762
  101    98 S   HC   _H67    76     1.09503   111.31663    57.71761
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  27   2   1   1  15   6   5  16   9   8   4   8   3   2   1   8
   5   4  11   4   3  14  20   9   5   2   1   1  12   6   5  15
   5   4  21  19   9   9   3   2   1  12   6   5   6   3  10   5
   2   1   1  11  13   7   4   9   3   2   1   1   8   7   3   2
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    54    55    81    40    41    44    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    48    51    52    53    54    55    56    61    77    81    82    83    40    41    44    45    46    47    57    58    59    60  
   35    36  
   36  
    0  
   38    39    42    43    48    49    50    51    54    55    81    40    41    44    57  
   39    42    43    48    54    40  
   42    43    48    54    40  
   41    44    45    46    47    57    42    51    54    55    68    77    78    81    82    83  
   44    45    46    47    54    77    81    82    83  
   43    48    49    50    51    52    53    54  
   48    49    50    51  
   45    46    47    54    77    81    82    83  
   46    47    81  
   47    81  
   81  
   49    50    51    52    53    54    55    57  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    61    77    57    58    59    60  
   53    54    55    57  
   54    55    57  
   55    56    61    62    63    64    68    77    78    81    57    58    59    60  
   56    61    62    63    64    65    66    67    68    69    74    77    78    81    82    83    57    58    59    60  
   61    62    63    64    68    77    78    81    57  
   58    59    60    61    77  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    84    77    78    81    70  
   63    64    65    66    67    77  
   64    65    66    67    77  
   65    66    67    68    69    74    79    84    85    86    77    70    71    72    73  
   66    67    68    84    70  
   67    68    84    70  
   68    69    74    75    76    79    80    84    85    88    93    86    87    89    77    78    81    70    71    72    73  
   69    74    75    76    79    80    84    85    93    86    77    78    81    82    83    70    71    72    73  
   74    75    76    79    84    77    78    81    70  
   71    72    73    74    77    79    84    85    86  
   72    73    84  
   73    84  
   84  
   75    76    79    80    84    85    88    93    86    77    78    81  
   76    79    80    84    93    77  
   79    80    84    93    77  
   78    81    82    83    79    84  
   81    82    83  
   80    84    85    88    93    94    98    86    87    89  
   84    85    88    93    86  
   82    83  
   83  
    0  
   85    88    93    94    98    86    87    89    90    91    92  
   88    93    94    95    96    97    98    99   100   101    86    87    89  
   87    89    90    91    92    88    93  
   89    90    91    92  
   93    94    95    96    97    98    99   100   101  
   90    91    92  
   91    92  
   92  
    0  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101  
  100   101  
  101  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   86   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   87   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   88   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    77   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   268.000  1.529
   67    68   268.000  1.529
   67    84   268.000  1.529
   67    70   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    84   268.000  1.529
   79    93   320.000  1.410
   84    85   320.000  1.410
   84    86   317.000  1.522
   85    88   320.000  1.380
   88    93   320.000  1.380
   88    94   250.000  1.527
   88    98   250.000  1.527
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   86    87   570.000  1.229
   86    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   77    78   340.000  1.090
   77    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    54    51    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   37    42    43    80.00000  120.40000
   37    42    48    70.00000  116.00000
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    63.00000  111.10000
   48    42    43    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    58.35000  112.70000
   51    54    57    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    55    56    37.50000  110.70000
   54    55    61    58.35000  112.70000
   54    55    77    58.35000  112.70000
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    37.50000  110.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   55    77    68    58.35000  112.70000
   55    77    78    37.50000  110.70000
   55    77    81    58.35000  112.70000
   61    55    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    67    68    58.35000  112.70000
   64    67    84    58.35000  112.70000
   64    67    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    68    69    37.50000  110.70000
   67    68    74    58.35000  112.70000
   67    68    77    58.35000  112.70000
   67    84    79    58.35000  112.70000
   67    84    85    50.00000  109.50000
   67    84    86    63.00000  111.10000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    79    58.35000  112.70000
   68    77    78    37.50000  110.70000
   68    77    81    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    84    58.35000  112.70000
   74    79    93    50.00000  109.50000
   76    74    75    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    37.50000  110.70000
   79    84    85    50.00000  109.50000
   79    84    86    63.00000  111.10000
   79    93    88    60.00000  109.50000
   84    67    68    58.35000  112.70000
   84    79    80    37.50000  110.70000
   84    85    88    60.00000  109.50000
   84    86    87    80.00000  120.40000
   84    86    89    70.00000  116.00000
   85    88    93    92.60000  111.55000
   85    88    94    90.00000  108.56700
   85    88    98    90.00000  108.56700
   88    94    95    45.00000  108.72000
   88    94    96    45.00000  108.72000
   88    94    97    45.00000  108.72000
   88    98    99    45.00000  108.72000
   88    98   100    45.00000  108.72000
   88    98   101    45.00000  108.72000
   93    79    80    35.00000  109.50000
   93    79    84    50.00000  109.50000
   94    88    93    90.00000  108.56700
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    88    93    90.00000  108.56700
   98    88    94    65.00000  112.71400
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   86    84    85    90.00000  108.74100
   86    89    90    35.00000  109.50000
   86    89    91    35.00000  109.50000
   86    89    92    35.00000  109.50000
   89    86    87    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   77    55    56    37.50000  110.70000
   77    55    61    58.35000  112.70000
   77    68    69    37.50000  110.70000
   77    68    74    58.35000  112.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    40    58.35000  112.70000
   81    77    78    37.50000  110.70000
   81    40    41    37.50000  110.70000
   81    40    44    58.35000  112.70000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   70    67    68    58.35000  112.70000
   70    67    84    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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
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   98    88    94    95   0.15000  1.0 3.0
   98    88    94    96   0.15000  1.0 3.0
   98    88    94    97   0.15000  1.0 3.0
   86    84    85    88  -1.11000  1.0 1.0
   86    84    85    88   0.50250 -1.0 2.0
   86    84    85    88   0.47450  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   87    86    89    92   0.00000  1.0 1.0
   77    55    61    62   0.15000  1.0 3.0
   77    55    61    63   0.15000  1.0 3.0
   77    55   -61    64   0.56750  1.0 1.0
   77    55   -61    64  -0.07550 -1.0 2.0
   77    55   -61    64   0.20000  1.0 3.0
   77    68    74    75   0.15000  1.0 3.0
   77    68    74    76   0.15000  1.0 3.0
   77    68    74    79   0.56750  1.0 1.0
   77    68    74    79  -0.07550 -1.0 2.0
   77    68    74    79   0.20000  1.0 3.0
   77    81   -40    33   0.56750  1.0 1.0
   77    81   -40    33  -0.07550 -1.0 2.0
   77    81   -40    33   0.20000  1.0 3.0
   77    81    40    41   0.15000  1.0 3.0
   77    81    40    44   0.56750  1.0 1.0
   77    81    40    44  -0.07550 -1.0 2.0
   77    81    40    44   0.20000  1.0 3.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    40   0.15000  1.0 3.0
   81    40    44    45   0.15000  1.0 3.0
   81    40    44    46   0.15000  1.0 3.0
   81    40    44    47   0.15000  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    44   0.15000  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.15000  1.0 3.0
   83    81    40    44   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    42  -0.95700  1.0 1.0
   40    33    37    42  -0.18200 -1.0 2.0
   40    33    37    42   0.29450  1.0 3.0
   40    33    54    51   0.56750  1.0 1.0
   40    33    54    51  -0.07550 -1.0 2.0
   40    33    54    51   0.20000  1.0 3.0
   40    33   -54    55   0.56750  1.0 1.0
   40    33   -54    55  -0.07550 -1.0 2.0
   40    33   -54    55   0.20000  1.0 3.0
   40    33    54    57   0.56750  1.0 1.0
   40    33    54    57  -0.07550 -1.0 2.0
   40    33    54    57   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   70    67    68    69   0.15000  1.0 3.0
   70    67    68    74   0.56750  1.0 1.0
   70    67    68    74  -0.07550 -1.0 2.0
   70    67    68    74   0.20000  1.0 3.0
   70    67    68    77   0.56750  1.0 1.0
   70    67    68    77  -0.07550 -1.0 2.0
   70    67    68    77   0.20000  1.0 3.0
   70    67    84    79   0.56750  1.0 1.0
   70    67    84    79  -0.07550 -1.0 2.0
   70    67    84    79   0.20000  1.0 3.0
   70    67    84    85   0.62750  1.0 1.0
   70    67    84    85  -0.30950 -1.0 2.0
   70    67    84    85   0.27300  1.0 3.0
   70    67    84    86  -0.95700  1.0 1.0
   70    67    84    86  -0.18200 -1.0 2.0
   70    67    84    86   0.29450  1.0 3.0
   57    54    55    56   0.15000  1.0 3.0
   57    54    55    61   0.56750  1.0 1.0
   57    54    55    61  -0.07550 -1.0 2.0
   57    54    55    61   0.20000  1.0 3.0
   57    54    55    77   0.56750  1.0 1.0
   57    54    55    77  -0.07550 -1.0 2.0
   57    54    55    77   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    48    42    43  10.50000 -1.0 2.0
   84    89    86    87  10.50000 -1.0 2.0
END
