* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    199    325     604
    1     0 S   NP   _N1_     1    28.80558    93.64731   -20.81378
    2     1 S   H    _HN1     2     1.02773    89.95971   -72.94713
    3     1 S   H    _H1_     3     1.02960    97.40564    35.55702
    4     1 S   H    _H2_     4     1.02833    25.07704   150.38067
    5     1 S   CT   _CA1     5     1.50165   135.25341   164.55852
    6     5 S   HC   _HA1     6     1.09574   105.19919    52.82776
    7     5 S   CO3  _C1_     7     1.53814   112.24775   -67.30794
    8     7 S   O2Z  _O11     8     1.26371   114.96616   -44.05533
    9     7 S   O2Z  _O12     9     1.26237   114.89739   134.73147
   10     5 S   CT   _CB1    10     1.53061   107.37881   170.70183
   11    10 S   HC   HB11    11     1.09821   109.32737   -49.76686
   12    10 S   HC   HB12    12     1.09827   110.42105    66.78915
   13    10 S   CT   _CG1    13     1.53018   112.71819  -170.88299
   14    13 S   HC   HG11    14     1.09519   110.33467   -62.36766
   15    13 S   HC   HG12    15     1.09636   110.13099    56.76111
   16    13 S   C    _CD1    16     1.51835   112.10622   176.78898
   17    16 S   O    _OE1    17     1.22757   123.11559   -10.37415
   18    16 S   N    _N2_    18     1.38623   111.85831   170.41608
   19    18 S   H    _HN2    19     1.01596   119.01170     0.24469
   20    18 S   CT1  _CA2    20     1.46324   123.31213  -178.80777
   21    20 S   HC   _HA2    21     1.09738   109.32896   -13.77692
   22    20 S   C    _C2_    22     1.53401   108.40732  -129.49024
   23    22 S   O    _O2_    23     1.23016   122.22469  -146.28885
   24    20 S   CT   _CB2    32     1.53609   111.41906   108.28410
   25    24 S   HC   HB21    33     1.09246   109.11002    57.68757
   26    24 S   HC   HB22    34     1.09505   110.20112   175.75767
   27    22 S   N    _N3_    24     1.38505   113.36667    41.08663
   28    27 S   H    _HN3    25     1.01532   118.88834    -0.70748
   29    24 S   S    _SG2    35     1.82960   111.05494   -65.33002
   30    27 S   CT   _CA3    26     1.45445   123.48007   175.15847
   31    30 S   HC   HA31    27     1.09521   109.27592    23.68267
   32    30 S   HC   HA32    28     1.09497   107.11588   140.68366
   33    29 S   CT   _C22    36     1.90079   103.46850   154.56626
   34    30 S   CO3  _C3_    29     1.52917   113.07335   -99.82567
   35    34 S   O2Z  _O31    30     1.26405   115.38629   -45.27509
   36    34 S   O2Z  _O32    31     1.26353   114.99894   135.65915
   37    33 S   CT   _C7_    37     1.54403   105.31701   -69.74246
   38    37 S   HC   _H33    38     1.09400   112.30204   173.47797
   39    37 S   HC   _H34    39     1.09440   112.10703    56.21283
   40    33 S   CT   _C11    55     1.54287   109.50584    49.97326
   41    40 S   HC   _H41    56     1.09571   111.52148   -58.21615
   42    40 S   HC   _H42    57     1.09728   109.75516  -173.37513
   43    37 S   CO4  _C4_    40     1.51817   111.54798   -65.18384
   44    43 S   O    _O25    41     1.23183   120.09091   136.13477
   45    43 S   CT   _C14    42     1.52645   117.41918   -49.12751
   46    45 S   HC   _H47    43     1.09665   106.34426   -75.70641
   47    45 S   CT   _C12    44     1.54092   112.29930    43.90644
   48    47 S   HC   _H43    45     1.09657   109.74008    76.70853
   49    47 S   HC   _H44    46     1.09766   107.65567  -169.31883
   50    45 S   CT   _C24    97     1.52872   110.98045   167.50617
   51    50 S   HC   _H54    98     1.09581   111.26277   -59.79550
   52    50 S   HC   _H55    99     1.09493   110.94799   179.56121
   53    50 S   HC   _H56   100     1.09544   110.91426    59.84382
   54    33 S   CT   _C19    47     1.60350   111.95097   170.77457
   55    54 S   CT   _C21    48     1.59344   110.03599   -64.16583
   56    55 S   F    _F31    49     1.37980   106.82078    60.69458
   57    54 S   CT   _C25    93     1.56424   110.76372   174.56217
   58    57 S   HC   _H57    94     1.09202   112.98810    73.08169
   59    57 S   HC   _H58    95     1.09158   113.35871   -48.00813
   60    57 S   HC   _H59    96     1.09382   111.50406  -165.50518
   61    55 S   CT   _C16    50     1.56349   111.50391   -54.87465
   62    61 S   HC   _H49    51     1.09391   109.53817   -66.99106
   63    55 S   CT   _C17    71     1.55793   116.62540   175.31525
   64    63 S   HC   _H50    72     1.09616   108.43645   -61.88366
   65    61 S   CT   _C9_    52     1.53855   112.44897    51.41323
   66    65 S   HC   _H37    53     1.09711   109.34582  -171.33614
   67    65 S   HC   _H38    54     1.09614   110.02164    72.84297
   68    61 S   CT   _C15    58     1.53842   108.63118   174.25403
   69    68 S   HC   _H48    59     1.10229   106.16707   -58.57070
   70    63 S   OH   _O28    73     1.41832   112.63506    56.25722
   71    70 S   HO   _H65    74     0.97248   107.83749  -175.56584
   72    68 S   CT   _C8_    60     1.52254   118.63552  -177.12240
   73    72 S   HC   _H35    61     1.09485   112.14853    76.10078
   74    72 S   HC   _H36    62     1.09583   111.49107   -44.58601
   75    72 S   CT   _C10    63     1.53992   104.08716  -163.73273
   76    75 S   HC   _H39    64     1.09517   108.47559   132.98033
   77    75 S   HC   _H40    65     1.09618   109.76287  -110.07544
   78    75 S   CT   _C18    66     1.55771   106.80572    10.81771
   79    68 S   CT   _C20    67     1.55019   113.82007    60.63157
   80    78 S   CO4  _C5_    79     1.53880   112.84457   144.49647
   81    80 S   O    _O26    80     1.23282   121.54527    -4.62351
   82    78 S   OH   _O29    91     1.42806   107.93256   -98.55125
   83    82 S   HO   _H66    92     0.97296   108.25679   -55.69407
   84    79 S   CT   _C13    68     1.54636   106.80324   -60.48733
   85    84 S   HC   _H45    69     1.09693   109.92253   -65.77825
   86    84 S   HC   _H46    70     1.09468   109.92943   177.14501
   87    79 S   CT   _C26    75     1.55272   113.22712    61.76643
   88    87 S   HC   _H60    76     1.09502   112.49501    68.86709
   89    87 S   HC   _H61    77     1.09134   113.30308   -51.49401
   90    87 S   HC   _H62    78     1.09551   110.71497  -171.72049
   91    80 S   CT   _C27    81     1.52057   117.59782   175.30689
   92    91 S   HC   _H63    82     1.09253   108.81302    75.30100
   93    91 S   HC   _H64    83     1.09367   109.68956   -46.78792
   94    91 S   OS   _O30    84     1.43053   108.62139  -165.99960
   95    94 S   CO4  _C6_    85     1.36257   115.24024  -178.15644
   96    95 S   O    _O27    86     1.22340   126.18565    -0.03956
   97    95 S   CT   _C23    87     1.49832   109.63343   179.96044
   98    97 S   HC   _H51    88     1.09290   109.83440   -60.92805
   99    97 S   HC   _H52    89     1.09380   109.35687  -179.97202
  100    97 S   HC   _H53    90     1.09289   109.83524    60.98904
  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
  24   2   1   1  15   6   5  13   6   5  11   4  11   8  15   5
   4   4   2   1   1  14  21   9   5   2   1   1  17   8  11   6
   6   2   1  18   8   5   1  11   6   5  11   5   4  16  12  10
   5   4   1   6   2   1   3   2   1   1   6   3   2   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    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    43    47    54    55    65    40    41    42    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    47    48    49    54    55    56    61    65    66    67    40    41    42    63    57    58    59    60  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    54    55    65    40    41    42    57    50  
   39    43    44    45    54    40  
   43    44    45    54    40  
   41    42    68    57    43    47    54    55    61    62    65    66    67  
   42    54    61    65    66    67  
   54    61    65    66    67  
   44    45    46    47    48    49    54    50    51    52    53  
   45    46    47    50  
   46    47    48    49    54    55    57    50    51    52    53  
   47    48    49    54    50    51    52    53  
   48    49    54    55    56    61    63    57    58    59    60    50    51    52    53  
   49    54    55    57    50  
   54    55    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    61    62    65    68    84    63    64    70    57    58    59    60  
   56    61    62    65    66    67    68    69    72    79    84    85    86    63    64    70    71    57    58    59    60  
   61    62    65    68    84    63    64    70    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    66    67    68    69    72    73    74    75    78    79    84    63    64    70    87  
   65    66    67    68    69    72    79    63  
   64    70    71    87    65    68    78    79    84    85    86  
   70    71    79    84    85    86  
   66    67    68    69    72    79  
   67    68  
   68  
   69    72    73    74    75    76    77    78    79    84    85    86    87    88    89    90    80    82  
   72    73    74    75    78    79    84    87  
   71    79    84    85    86  
   84  
   73    74    75    76    77    78    79    84    87    80    82  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79    84    87    80    81    91    82    83  
   77    78    79    80    82  
   78    79    80    82  
   79    84    85    86    87    88    89    90    80    81    91    92    93    94    82    83  
   84    85    86    87    88    89    90    80    81    91    82    83  
   81    91    92    93    94    95    82    83    84    87  
   91    92    93    94    82  
   83    84    87    91  
    0  
   85    86    87    88    89    90  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94    95    96    97  
   93    94    95  
   94    95  
   95    96    97    98    99   100  
   96    97    98    99   100  
   97    98    99   100  
   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   0.167500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   268.000  1.529
   54    57   268.000  1.529
   55    56   367.000  1.332
   55    61   268.000  1.529
   55    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    79   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    80   317.000  1.522
   78    82   320.000  1.410
   79    84   268.000  1.529
   79    87   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    63   268.000  1.529
   63    64   340.000  1.090
   63    70   320.000  1.410
   70    71   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   80    81   570.000  1.229
   80    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   320.000  1.410
   94    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   82    83   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    43    63.00000  111.10000
   33    54    47    58.35000  112.70000
   33    54    55    58.35000  112.70000
   33    54    57    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    63.00000  111.10000
   43    45    50    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    54    58.35000  112.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    53    37.50000  110.70000
   47    45    46    37.50000  110.70000
   47    54    55    58.35000  112.70000
   47    54    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   54    33    37    58.35000  112.70000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    55    56    50.00000  109.50000
   54    55    61    58.35000  112.70000
   54    55    63    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    65    58.35000  112.70000
   55    61    68    58.35000  112.70000
   55    63    84    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    70    50.00000  109.50000
   61    55    56    50.00000  109.50000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    40    58.35000  112.70000
   61    68    69    37.50000  110.70000
   61    68    72    58.35000  112.70000
   61    68    79    58.35000  112.70000
   65    61    62    37.50000  110.70000
   65    40    41    37.50000  110.70000
   65    40    42    37.50000  110.70000
   67    65    66    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    65    67    37.50000  110.70000
   42    40    41    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    65    58.35000  112.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    75    58.35000  112.70000
   68    79    78    58.35000  112.70000
   68    79    84    58.35000  112.70000
   68    79    87    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    80    63.00000  111.10000
   75    78    82    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    84    58.35000  112.70000
   78    79    87    58.35000  112.70000
   78    80    81    80.00000  120.40000
   78    80    91    70.00000  116.00000
   78    82    83    55.00000  108.50000
   79    68    69    37.50000  110.70000
   79    68    72    58.35000  112.70000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    63    58.35000  112.70000
   79    87    88    37.50000  110.70000
   79    87    89    37.50000  110.70000
   79    87    90    37.50000  110.70000
   84    63    64    37.50000  110.70000
   84    63    70    50.00000  109.50000
   86    84    85    33.00000  107.80000
   63    55    56    50.00000  109.50000
   63    55    61    58.35000  112.70000
   63    84    85    37.50000  110.70000
   63    84    86    37.50000  110.70000
   63    70    71    55.00000  108.50000
   70    63    64    35.00000  109.50000
   87    79    84    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   80    78    79    63.00000  111.10000
   80    91    92    35.00000  109.50000
   80    91    93    35.00000  109.50000
   80    91    94    90.00000  108.74100
   91    80    81    80.00000  120.40000
   91    94    95    83.00000  116.90000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    83.00000  123.40000
   94    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   82    78    79    50.00000  109.50000
   82    78    80    90.00000  109.61100
   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
   50    45    46    37.50000  110.70000
   50    45    47    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    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
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
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   80    78    79    84  -0.95700  1.0 1.0
   80    78    79    84  -0.18200 -1.0 2.0
   80    78    79    84   0.29450  1.0 3.0
   80    78    79    87  -0.95700  1.0 1.0
   80    78    79    87  -0.18200 -1.0 2.0
   80    78    79    87   0.29450  1.0 3.0
   80    78    82    83   0.91850  1.0 1.0
   80    78    82    83   0.57950  1.0 3.0
   80    91    94    95  -1.80650  1.0 1.0
   80    91    94    95   0.63900 -1.0 2.0
   80    91    94    95   0.03650  1.0 3.0
   81    80    91    92   0.00000  1.0 1.0
   81    80    91    93   0.00000  1.0 1.0
   81    80    91    94   0.30150 -1.0 2.0
   91    94    95    96   3.00000 -1.0 2.0
   91    94    95    97   1.63150  1.0 1.0
   91    94    95    97   2.92000 -1.0 2.0
   92    91    94    95   0.08050  1.0 3.0
   93    91    94    95   0.08050  1.0 3.0
   94    95    97    98   0.00000  1.0 1.0
   94    95    97    99   0.00000  1.0 1.0
   94    95    97   100   0.00000  1.0 1.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   82    78    79    68   0.86500  1.0 1.0
   82    78    79    68  -0.17500 -1.0 2.0
   82    78    79    68   0.20800  1.0 3.0
   82    78    79    84   0.86500  1.0 1.0
   82    78    79    84  -0.17500 -1.0 2.0
   82    78    79    84   0.20800  1.0 3.0
   82    78    79    87   0.86500  1.0 1.0
   82    78    79    87  -0.17500 -1.0 2.0
   82    78    79    87   0.20800  1.0 3.0
   82    78    80    81   0.30150 -1.0 2.0
   82    78    80    91   0.55300  1.0 1.0
   82    78    80    91   1.25850 -1.0 2.0
   82    78    80    91  -0.23600  1.0 3.0
   57    54    55    56   0.39650  1.0 1.0
   57    54    55    56  -0.18350 -1.0 2.0
   57    54    55    56   0.41450  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    63   0.56750  1.0 1.0
   57    54    55    63  -0.07550 -1.0 2.0
   57    54    55    63   0.20000  1.0 3.0
   50    45    47    48   0.15000  1.0 3.0
   50    45    47    49   0.15000  1.0 3.0
   50    45    47    54   0.56750  1.0 1.0
   50    45    47    54  -0.07550 -1.0 2.0
   50    45    47    54   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    45    43    44  10.50000 -1.0 2.0
   78    91    80    81  10.50000 -1.0 2.0
   94    97    95    96  10.50000 -1.0 2.0
END
