* LIGAND DATABASE FILE (OPLS2005)
*
001      97   101    194    322     587
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02065    90.40123   -68.52209
    3     1 S   H    _H1_     3     1.02022    90.20451    40.18194
    4     1 S   H    _H2_     4     1.02062    32.86337   166.00802
    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     1.08491   110.67486    58.67070
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   _C18    36     1.89734    95.77919   161.88906
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C6_    37     1.52584   101.41940   -60.02592
   38    37 S   HC   _H35    38     1.08902   118.06861    91.01686
   39    33 S   CT   _C10    53     1.54095   106.99480    59.32060
   40    39 S   HC   _H38    54     1.09841   110.92692   -53.81150
   41    39 S   HC   _H39    55     1.09694   110.25032  -169.67799
   42    37 S   CMA  _C7_    39     1.35487   121.83781   -87.61694
   43    42 S   OM   _O25    40     1.25891   131.31693   178.52117
   44    42 S   CM   _C4_    41     1.47189   117.14085     0.11535
   45    44 S   HC   _H33    42     1.08902   119.59328   160.46986
   46    44 S   CM   _C5_    43     1.34835   122.05969   -19.69526
   47    46 S   HC   _H34    44     1.08468   118.95240  -178.16346
   48    33 S   CT   _C17    45     1.59382   115.61496  -178.81982
   49    48 S   CT   _C21    46     1.58108   109.89249   -61.03715
   50    49 S   F    _F31    47     1.38018   106.70513    59.32465
   51    48 S   CT   _C23    94     1.56755   110.22967   177.43715
   52    51 S   HC   _H48    95     1.07582   107.85232    65.24571
   53    51 S   HC   _H49    96     1.07563   107.82937   -54.76384
   54    51 S   HC   _H50    97     1.07622   107.79024  -174.74820
   55    49 S   CT   _C13    48     1.57007   110.88418   -56.13208
   56    55 S   HC   _H44    49     1.09392   109.50548   -68.37990
   57    49 S   CT   _C16    68     1.56113   117.15177   173.88384
   58    57 S   HC   _H47    69     1.09683   109.04054   -63.66332
   59    55 S   CT   _C9_    50     1.54118   113.24495    50.16012
   60    59 S   HC   _H36    51     1.09711   109.09336  -168.69157
   61    59 S   HC   _H37    52     1.09578   109.98810    76.19530
   62    55 S   CT   _C14    56     1.53680   108.16865   173.43227
   63    62 S   HC   _H45    57     1.10107   105.45980   -57.11920
   64    57 S   OH   _O29    70     1.41769   112.73373    55.52844
   65    64 S   HO   _H62    71     0.97136   106.97791  -174.02456
   66    62 S   CT   _C11    58     1.53024   119.85220  -175.67401
   67    66 S   HC   _H40    59     1.09594   110.23663   -45.21950
   68    66 S   HC   _H41    60     1.09461   111.93203    75.36815
   69    66 S   CT   _C15    61     1.54533   103.76805  -163.27391
   70    69 S   HC   _H46    62     1.09533   110.00641   134.43626
   71    69 S   CT   _C19    63     1.53233   106.67471     9.93704
   72    62 S   CT   _C20    64     1.54645   113.49145    61.44191
   73    71 S   OS   _O28    76     1.42544   105.13935   -99.57894
   74    71 S   CO4  _C8_    87     1.50091   114.32800   144.09811
   75    74 S   O    _O26    88     1.23062   121.29591   -29.97553
   76    72 S   CT   _C12    65     1.54104   107.89049   -60.50231
   77    76 S   HC   _H42    66     1.09733   109.52753   -67.30500
   78    76 S   HC   _H43    67     1.09750   109.54519   176.17270
   79    72 S   CT   _C24    72     1.55307   113.34799    62.00898
   80    79 S   HC   _H51    73     1.07976   108.56490    58.90893
   81    79 S   HC   _H52    74     1.08045   108.50425   -61.13256
   82    79 S   HC   _H53    75     1.08010   108.54169   178.95695
   83    73 S   CO   _C22    77     1.43043   106.78633   -19.93787
   84    74 S   CT   _C27    89     1.51324   116.32287   149.98447
   85    84 S   HC   _H60    90     1.09345   109.75940    60.02160
   86    84 S   HC   _H61    91     1.09320   109.06810   -60.17166
   87    69 S   OS   _O27    78     1.42468   110.83347  -105.47259
   88    83 S   CT   _C25    79     1.52293   108.93281   134.52461
   89    88 S   HC   _H54    80     1.09012   109.97942   -60.01901
   90    88 S   HC   _H55    81     1.08940   110.04075  -180.00000
   91    88 S   HC   _H56    82     1.09035   109.98334    59.97307
   92    83 S   CT   _C26    83     1.52595   109.24016  -104.75267
   93    92 S   HC   _H57    84     1.09005   109.90064    60.23722
   94    92 S   HC   _H58    85     1.08865   109.92501   -59.78917
   95    92 S   HC   _H59    86     1.08941   109.84889  -179.81655
   96    84 S   OH   _O30    92     1.41128   110.71793  -179.44047
   97    96 S   HO   _H63    93     0.97347   107.36590   179.98022
  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  12   5   4   3
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  12   6   5  13   6  19  13  15  10   4   6   2   1   3   2
   1   1   9   4   3   2   8   7   3   2   1   3   2   1   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    76    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    72    76    77    78    57    58    64    65    51    52    53    54  
   55    56    59    62    76    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    71    72    76    57    58    64    79  
   59    60    61    62    63    66    72    57  
   58    64    65    79    59    62    71    72    76    77    78  
   64    65    72    76    77    78  
   60    61    62    63    66    72  
   61    62  
   62  
   63    66    67    68    69    70    71    72    76    77    78    79    80    81    82    73    87    74  
   66    67    68    69    71    72    76    79  
   65    72    76    77    78  
   76  
   67    68    69    70    71    72    76    79    73    83    87    74  
   68    69    70    71    72    87  
   69    70    71    72    87  
   70    71    72    76    79    73    83    87    88    92    74    75    84  
   71    72    73    83    87    74  
   72    76    77    78    79    80    81    82    73    83    87    88    92    74    75    84    85    86    96  
   76    77    78    79    80    81    82    73    83    87    74    75    84  
   83    87    88    89    90    91    92    93    94    95    74    75    84    76    79  
   75    84    85    86    96    97    76    79    83    87  
   84    85    86    96  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   87    88    89    90    91    92    93    94    95  
   85    86    96    97  
   86    96    97  
   96    97  
   88    89    90    91    92    93    94    95  
   89    90    91    92    93    94    95  
   90    91    92  
   91    92  
   92  
   93    94    95  
   94    95  
   95  
    0  
   97  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   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   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   97   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   367.000  1.332
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    72   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    87   320.000  1.410
   71    72   268.000  1.529
   71    73   320.000  1.410
   71    74   317.000  1.522
   72    76   268.000  1.529
   72    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    83   320.000  1.380
   83    87   320.000  1.380
   83    88   250.000  1.527
   83    92   250.000  1.527
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   74    75   570.000  1.229
   74    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    96   320.000  1.410
   96    97   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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  112.20000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    50.00000  109.50000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    76    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    50.00000  109.50000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    72    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    72    71    58.35000  112.70000
   62    72    76    58.35000  112.70000
   62    72    79    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    87    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    58.35000  112.70000
   69    71    73    50.00000  109.50000
   69    71    74    63.00000  111.10000
   69    87    83    60.00000  109.50000
   71    69    70    37.50000  110.70000
   71    72    76    58.35000  112.70000
   71    72    79    58.35000  112.70000
   71    73    83    60.00000  109.50000
   71    74    75    80.00000  120.40000
   71    74    84    70.00000  116.00000
   72    62    63    37.50000  110.70000
   72    62    66    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    57    58.35000  112.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    64    50.00000  109.50000
   78    76    77    33.00000  107.80000
   57    49    50    50.00000  109.50000
   57    49    55    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    76    78    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   79    72    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    71    72    50.00000  109.50000
   73    83    87    92.60000  111.55000
   73    83    88    90.00000  108.56700
   73    83    92    90.00000  108.56700
   83    88    89    45.00000  108.72000
   83    88    90    45.00000  108.72000
   83    88    91    45.00000  108.72000
   83    92    93    45.00000  108.72000
   83    92    94    45.00000  108.72000
   83    92    95    45.00000  108.72000
   87    69    70    35.00000  109.50000
   87    69    71    50.00000  109.50000
   88    83    87    90.00000  108.56700
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   92    83    87    90.00000  108.56700
   92    83    88    65.00000  112.71400
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   74    71    72    63.00000  111.10000
   74    71    73    90.00000  108.74100
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    96    90.00000  109.61100
   84    74    75    80.00000  120.40000
   84    96    97    55.00000  108.50000
   86    84    85    33.00000  107.80000
   96    84    85    35.00000  109.50000
   96    84    86    35.00000  109.50000
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    48    46   0.56750  1.0 1.0
   29    33    48    46  -0.07550 -1.0 2.0
   29    33    48    46   0.20000  1.0 3.0
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   87    83    92    93   0.23400  1.0 3.0
   87    83    92    94   0.23400  1.0 3.0
   87    83    92    95   0.23400  1.0 3.0
   88    83    87    69   0.06250  1.0 1.0
   88    83    87    69  -0.01100 -1.0 2.0
   88    83    87    69   0.28050  1.0 3.0
   88    83    92    93   0.15000  1.0 3.0
   88    83    92    94   0.15000  1.0 3.0
   88    83    92    95   0.15000  1.0 3.0
   92    83    87    69   0.06250  1.0 1.0
   92    83    87    69  -0.01100 -1.0 2.0
   92    83    87    69   0.28050  1.0 3.0
   92    83    88    89   0.15000  1.0 3.0
   92    83    88    90   0.15000  1.0 3.0
   92    83    88    91   0.15000  1.0 3.0
   74    71    72    62  -0.95700  1.0 1.0
   74    71    72    62  -0.18200 -1.0 2.0
   74    71    72    62   0.29450  1.0 3.0
   74    71    72    76  -0.95700  1.0 1.0
   74    71    72    76  -0.18200 -1.0 2.0
   74    71    72    76   0.29450  1.0 3.0
   74    71    72    79  -0.95700  1.0 1.0
   74    71    72    79  -0.18200 -1.0 2.0
   74    71    72    79   0.29450  1.0 3.0
   74    71    73    83  -1.11000  1.0 1.0
   74    71    73    83   0.50250 -1.0 2.0
   74    71    73    83   0.47450  1.0 3.0
   74    84    96    97   0.91850  1.0 1.0
   74    84    96    97   0.57950  1.0 3.0
   75    74    84    85   0.00000  1.0 1.0
   75    74    84    86   0.00000  1.0 1.0
   75    74    84    96   0.30150 -1.0 2.0
   85    84    96    97   0.19450  1.0 3.0
   86    84    96    97   0.19450  1.0 3.0
   51    48    49    50   0.39650  1.0 1.0
   51    48    49    50  -0.18350 -1.0 2.0
   51    48    49    50   0.41450  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   71    84    74    75  10.50000 -1.0 2.0
END
