* LIGAND DATABASE FILE (OPLS2005)
*
001      97   100    190    309     573
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081    96.53461    28.49574
    3     1 S   H    _H1_     3     1.02129    34.59133   142.17788
    4     1 S   H    _H2_     4     1.02112    83.04977   -79.66235
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C21    36     1.85017    97.08131  -178.13964
   34    33 S   HC   _H7_    37     1.10553   104.66916    30.21898
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C20    38     1.50699   106.31082   -79.97413
   39    38 S   HC   _H20    39     1.08867   118.89916    36.80808
   40    38 S   CM   _C19    40     1.33428   122.47628  -146.65388
   41    40 S   CM   _C18    41     1.43687   121.55705    -0.13706
   42    41 S   HC   _H19    42     1.08465   115.19433  -172.37455
   43    40 S   OH   _O33    96     1.37956   120.96550  -178.18156
   44    43 S   HO   _H21    97     0.96294   110.05164    -1.84991
   45    41 S   CM   _C17    43     1.34776   123.30060     9.79083
   46    45 S   CT   _C5_    44     1.53040   121.72419   175.49033
   47    46 S   HC   _H3_    45     1.09764   107.52504  -112.76851
   48    46 S   CT   _C6_    46     1.52993   110.48268   129.63237
   49    48 S   HC   _H11    47     1.09675   108.78929   176.43806
   50    48 S   HC   _H12    48     1.09854   109.83771   -67.27774
   51    46 S   CT   _C4_    92     1.53719   116.51654     5.10726
   52    51 S   HC   _H8_    93     1.08467   109.35383    60.95138
   53    51 S   HC   _H9_    94     1.08505   109.29296   -59.08898
   54    51 S   HC   _H10    95     1.08588   109.31865  -179.04550
   55    48 S   CT   _C7_    49     1.53602   112.19380    55.51832
   56    55 S   HC   _H4_    50     1.09465   107.86336    62.53740
   57    55 S   CT   _C8_    51     1.53967   109.50416  -178.36004
   58    57 S   HC   _H5_    52     1.10221   106.34217    61.80860
   59    55 S   CT   _C15    66     1.56126   110.58497   -57.48808
   60    59 S   F    F1__    67     1.38827   105.11856   -58.69474
   61    57 S   CT   _C9_    53     1.52684   118.71712   -57.22578
   62    61 S   HC   _H13    54     1.09512   112.04093    77.20143
   63    61 S   HC   _H14    55     1.09570   111.56111   -43.46425
   64    33 S   CT   _C16    68     1.60503   116.06008   149.64018
   65    61 S   CT   _C10    56     1.54258   104.33594  -162.73309
   66    65 S   HC   _H15    57     1.09585   109.28915   131.49029
   67    65 S   HC   _H16    58     1.09546   109.84177  -110.73884
   68    64 S   CT   _C22    69     1.55266   111.57387    31.30980
   69    68 S   HC   _H22    70     1.08036   108.54273   -59.62063
   70    68 S   HC   _H23    71     1.08076   108.48550  -179.59410
   71    68 S   HC   _H24    72     1.08048   108.54852    60.43195
   72    65 S   CT   _C11    59     1.54544   106.22436    10.12681
   73    57 S   CT   _C12    60     1.54416   113.63494  -178.98394
   74    72 S   CO4  _C24    79     1.50012   112.00867   144.48375
   75    74 S   O    _O35    80     1.22965   121.60429    -0.15577
   76    72 S   OS   _O36    85     1.42360   107.84540  -100.94851
   77    73 S   CT   _C13    61     1.53919   106.91705   -61.27983
   78    77 S   HC   _H17    62     1.09748   110.07880   -64.60311
   79    77 S   HC   _H18    63     1.09761   109.39252   178.47094
   80    73 S   CT   _C23    75     1.55361   113.22705    61.03868
   81    80 S   HC   _H26    76     1.07993   108.46342    59.86105
   82    80 S   HC   _H27    77     1.07967   108.45032   -60.17839
   83    80 S   HC   _H28    78     1.07971   108.43369   179.87646
   84    74 S   CT   _C25    81     1.50463   116.72783  -179.97202
   85    84 S   HC   _H29    82     1.09353   109.73540    89.95734
   86    84 S   HC   _H30    83     1.09293   109.56408   -29.46843
   87    84 S   HC   _H31    84     1.09277   109.58121  -150.48401
   88    76 S   CO4  _C26    86     1.36619   115.68205   -59.33295
   89    88 S   O    _O37    87     1.22358   126.19677    -0.12354
   90    77 S   CT   _C14    64     1.54571   113.15639    55.85686
   91    90 S   HC   _H6_    65     1.09261   104.93364  -170.44581
   92    88 S   CT   _C27    88     1.49892   109.79426   179.98022
   93    92 S   HC   _H32    89     1.09304   109.81441   -89.99824
   94    92 S   HC   _H33    90     1.09296   109.84725   148.01087
   95    92 S   HC   _H34    91     1.09434   109.35038    29.05641
   96    90 S   OH   _O34    73     1.41768   109.44292    74.04797
   97    96 S   HO   _H25    74     0.97227   107.02586    60.02019
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1  10   4   7  11   4   2   1  18  14   9  16
   6   5   5   2   1   1  18   8  22   9  15   6  11   6   5   8
  11   5   4   4   2   1   1  19  15   9   5   9  10   5   4   4
   2   1   1   3   2   1   1   5   4   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    59    64    68  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    55    90    59    60    64    68    69    70    71    43  
   38    39    40    45    59    64    68  
   36    37  
   37  
    0  
   39    40    41    42    45    59    64    68    43    44  
   40    41    64    43  
   41    42    45    46    64    43    44  
   42    45    46    47    48    59    64    68    51    43    44  
   45    46    64    43  
   44    45  
    0  
   46    47    48    49    50    55    90    59    60    64    68    69    70    71    51    52    53    54  
   47    48    49    50    55    56    57    59    64    68    51    52    53    54  
   48    49    50    55    64    51    52    53    54  
   49    50    55    56    57    58    61    73    90    59    60    64    51    52    53    54  
   50    55    56    57    59    51  
   55    56    57    59    51  
   52    53    54    55    64  
   53    54  
   54  
    0  
   56    57    58    61    62    63    65    72    73    77    90    91    59    60    64    68    96    80  
   57    58    61    73    90    59    60    64  
   58    61    62    63    65    66    67    72    73    77    78    79    90    59    60    64    80    81    82    83    74    76  
   61    62    63    65    72    73    77    59    80  
   60    64    68    69    70    71    96    97    61    73    77    78    79    90    91  
   64    68    96    77    90    91  
   62    63    65    66    67    72    73    77    80    74    76  
   63    65    66    67    72    73  
   65    66    67    72    73  
   68    69    70    71    96    77    90    91  
   66    67    72    73    77    80    74    75    84    76    88  
   67    72    73    74    76  
   72    73    74    76  
   69    70    71    90  
   70    71  
   71  
    0  
   73    77    78    79    90    80    81    82    83    74    75    84    85    86    87    76    88    89    92  
   77    78    79    90    91    96    80    81    82    83    74    75    84    76    88  
   75    84    85    86    87    76    88    77    80  
   84    85    86    87    76  
   88    89    92    93    94    95    77    80    84  
   78    79    90    91    96    97    80    81    82    83  
   79    90    91    96    80  
   90    91    96    80  
   81    82    83    90  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
   89    92    93    94    95  
   92    93    94    95  
   91    96    97  
   96    97  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.1200   0.1700  -0.683000   1.8380   1.6250   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    64   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    43   510.000  1.338
   41    42   340.000  1.080
   41    45   549.000  1.340
   45    46   317.000  1.510
   45    64   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    73   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.522
   72    76   320.000  1.410
   73    77   268.000  1.529
   73    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    90   268.000  1.529
   90    91   340.000  1.090
   90    59   268.000  1.529
   90    96   320.000  1.410
   59    60   367.000  1.332
   59    64   268.000  1.529
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   96    97   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    87   340.000  1.090
   76    88   214.000  1.327
   88    89   570.000  1.229
   88    92   317.000  1.522
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    64    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    64    45    70.00000  112.02700
   33    64    59    58.35000  112.70000
   33    64    68    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    43    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    70.00000  123.01800
   40    43    44    70.00000  107.45700
   41    45    46    70.00000  124.00000
   41    45    64    70.00000  124.00000
   45    41    42    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    70.00000  112.02700
   45    46    51    70.00000  112.02700
   45    64    59    70.00000  112.02700
   45    64    68    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    58.35000  112.70000
   48    55    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    73    58.35000  112.70000
   55    59    90    58.35000  112.70000
   55    59    60    50.00000  109.50000
   55    59    64    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    65    58.35000  112.70000
   57    73    72    58.35000  112.70000
   57    73    77    58.35000  112.70000
   57    73    80    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    72    73    58.35000  112.70000
   65    72    74    63.00000  111.10000
   65    72    76    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    73    77    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    74    75    80.00000  120.40000
   72    74    84    70.00000  116.00000
   72    76    88    83.00000  116.90000
   73    57    58    37.50000  110.70000
   73    57    61    58.35000  112.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    90    58.35000  112.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   77    90    91    37.50000  110.70000
   77    90    59    58.35000  112.70000
   77    90    96    50.00000  109.50000
   79    77    78    33.00000  107.80000
   90    77    78    37.50000  110.70000
   90    77    79    37.50000  110.70000
   90    59    60    50.00000  109.50000
   90    59    64    58.35000  112.70000
   90    96    97    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   59    90    91    37.50000  110.70000
   59    64    68    58.35000  112.70000
   64    33    34    37.50000  110.70000
   64    33    38    70.00000  112.02700
   64    45    46    65.00000  117.92700
   64    59    60    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   96    90    91    35.00000  109.50000
   96    90    59    50.00000  109.50000
   80    73    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   74    72    73    63.00000  111.10000
   74    84    85    35.00000  109.50000
   74    84    86    35.00000  109.50000
   74    84    87    35.00000  109.50000
   84    74    75    80.00000  120.40000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   76    72    73    50.00000  109.50000
   76    72    74    90.00000  108.74100
   76    88    89    83.00000  123.40000
   76    88    92    81.00000  111.40000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    95    35.00000  109.50000
   92    88    89    80.00000  120.40000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    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
   43    40    41    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    64    45   0.56750  1.0 1.0
   29    33    64    45  -0.07550 -1.0 2.0
   29    33    64    45   0.20000  1.0 3.0
   29    33    64    59   0.44750  1.0 1.0
   29    33    64    59  -0.17800 -1.0 2.0
   29    33    64    59   0.20200  1.0 3.0
   29    33    64    68   0.44750  1.0 1.0
   29    33    64    68  -0.17800 -1.0 2.0
   29    33    64    68   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    43   7.00000 -1.0 2.0
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   43    40    41    42   0.00000  1.0 1.0
   43    40    41    45   0.50950  1.0 1.0
   43    40    41    45   0.56650 -1.0 2.0
   43    40    41    45   0.34050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    43    40    38   1.10000 -1.0 2.0
   40    42    41    45   1.10000 -1.0 2.0
   46    64    45    41   1.10000 -1.0 2.0
   72    84    74    75  10.50000 -1.0 2.0
   76    92    88    89  10.50000 -1.0 2.0
END
