* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    143    215     410
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02117   100.27118   -48.53636
    3     1 S   H    _H1_     3     1.02102    77.49069    58.51022
    4     1 S   H    _H2_     4     1.02110    37.66812  -155.81060
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C9_    36     1.81773    98.29568  -158.16863
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C12    37     1.49412   111.25382   180.00000
   38    37 S   CM   _C11    38     1.33970   108.39175  -102.97406
   39    37 S   CT   _C13    45     1.51040   120.62401    86.50455
   40    39 S   HC   _H3_    46     1.09733   108.63774   153.03505
   41    38 S   OS   _O35    39     1.39555   114.53033     0.50629
   42    38 S   OH   _O37    43     1.36728   124.55408  -177.39308
   43    42 S   HO   _H17    44     0.96739   110.52939   179.96574
   44    39 S   CA   _C14    47     1.49782   110.86607   -89.43175
   45    39 S   CM   _C7_    62     1.52962   110.43747    34.23043
   46    33 S   CT   _C10    40     1.53018   111.62433    69.31574
   47    46 S   HC   _H10    41     1.09969   112.13239  -149.92054
   48    46 S   HC   _H11    42     1.09525   114.00217   -27.99880
   49    44 S   CA   _C15    48     1.39520   119.21592    91.57552
   50    49 S   HA   _H12    49     1.08696   120.59581    -0.08156
   51    45 S   CM   _C8_    63     1.35453   122.32230   -14.23012
   52    45 S   CO4  _C6_    70     1.47269   115.75875   162.70786
   53    52 S   O    _O34    71     1.21683   123.28437   -56.94443
   54    49 S   CA   _C16    50     1.39533   119.95176   180.00000
   55    54 S   HA   _H13    51     1.08620   119.94557   179.97202
   56    33 S   NE   _N4_    64     1.44617   111.39837   -56.67647
   57    56 S   H    _H9_    65     1.01504   117.91440    71.05740
   58    51 S   CT   _C21    66     1.50766   124.43859  -179.47885
   59    58 S   HC   _H18    67     1.08479   109.10844    89.97959
   60    58 S   HC   _H19    68     1.08600   109.11752   -30.16216
   61    58 S   HC   _H20    69     1.08496   109.11313  -149.76075
   62    52 S   OS   _O33    72     1.35434   108.40072   123.05123
   63    54 S   CA   _C17    52     1.39447   119.99989     0.02798
   64    63 S   HA   _H14    53     1.08640   119.94296   179.94766
   65    62 S   CT   _C5_    73     1.43162   115.06917   179.97202
   66    65 S   HC   _H7_    74     1.09357   108.77407   -59.36741
   67    65 S   HC   _H8_    75     1.09445   108.73722    59.45038
   68    63 S   CA   _C18    54     1.39425   120.00797    -0.03956
   69    68 S   HA   _H15    55     1.08717   119.64265  -179.95577
   70    65 S   CT   _C4_    76     1.51390   108.98802   179.98022
   71    70 S   HC   _H4_    77     1.09286   110.93055   -60.42787
   72    70 S   HC   _H5_    78     1.09519   110.60668    60.48198
   73    70 S   HC   _H6_    79     1.09580   110.60632   178.67647
   74    44 S   CA   _C19    56     1.39405   120.76355   -88.43227
   75    74 S   OS   _O36    57     1.36244   120.73580     0.06853
   76    75 S   CTHO _C20    58     1.42274   117.33939  -150.04808
   77    76 S   F    F1__    59     1.35757   107.51112   150.10005
   78    76 S   F    F2__    60     1.35574   109.14839   -94.70565
   79    76 S   HC   _H16    61     1.09524   113.43601    29.92821
  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  11   5   4   3
  15   2   1   1  17  11  18   6   6   2   1  13  13   5   2   1
   8   4   9   8   2   6   3   5   1   3   2   1   1   7   5   3
   6   5   4   4   2   3   2   1   1   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    46    56    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    47    48    39    51    56    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    47    48    42    39    40    44    45    51    56    57    58  
   35    36  
   36  
    0  
   38    41    46    47    48    42    43    39    40    44    49    74    45    51    56    57    52  
   41    46    47    48    42    43    39    40    44    45    56  
   40    44    49    50    54    68    74    75    45    51    56    58    52    53    62    41    42    46  
   44    49    74    45    51    52  
   46    47    48    42    43    56  
   43    46  
    0  
   49    50    54    55    63    68    69    74    75    76    45    51    52  
   51    56    57    58    59    60    61    52    53    62    65    49    74  
   47    48    51    56    57  
   48    56  
   56  
   50    54    55    63    64    68    74    75  
   54    55    63    74  
   56    57    58    59    60    61    52    53    62  
   53    62    65    66    67    70    56    58  
   62    65  
   55    63    64    68    69    74  
   63    64    68  
   57    58    59    60    61  
   58  
   59    60    61  
   60    61  
   61  
    0  
   65    66    67    70    71    72    73  
   64    68    69    74    75  
   68    69    74  
   66    67    70    71    72    73  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76  
   74    75  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   0.402800   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   57   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.199600   2.5000   1.7750   0.001000000  -0.843144165
   75   2.9000   0.1400  -0.381100   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.616700   1.9750   1.7500   0.005000000  -0.741685710
   77   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   78   2.9500   0.0530  -0.232600   2.4980   2.2250   0.001000000   0.985400000
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    46   268.000  1.529
   33    56   382.000  1.448
   37    38   549.000  1.340
   37    39   317.000  1.510
   38    41   440.000  1.360
   38    42   510.000  1.338
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   42    43   553.000  0.945
   39    40   340.000  1.090
   39    44   317.000  1.510
   39    45   317.000  1.510
   44    49   469.000  1.400
   44    74   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    63   469.000  1.400
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   450.000  1.364
   75    76   470.000  1.351
   76    77   455.000  1.355
   76    78   455.000  1.355
   76    79   375.000  1.089
   45    51   549.000  1.340
   45    52   320.000  1.462
   51    56   425.000  1.378
   51    58   317.000  1.510
   56    57   434.000  1.010
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   570.000  1.229
   52    62   214.000  1.327
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    46    75.00000  111.63000
   29    33    56    80.00000  108.62000
   33    37    38    70.00000  124.00000
   33    37    39    65.00000  117.92700
   33    46    41    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    37.50000  110.70000
   33    56    51    50.00000  121.00000
   33    56    57    35.00000  112.50000
   37    38    41    80.00000  120.01400
   37    38    42    80.00000  121.38400
   37    39    40    35.00000  109.50000
   37    39    44    70.00000  112.99600
   37    39    45    70.00000  110.12100
   38    41    46    90.00000  111.18400
   38    42    43    70.00000  107.45700
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   46    33    37    70.00000  112.02700
   48    46    47    33.00000  107.80000
   42    38    41   115.00000  116.36000
   39    37    38    70.00000  124.00000
   39    44    49    70.00000  120.00000
   39    44    74    70.00000  120.00000
   39    45    51    70.00000  124.00000
   39    45    52    65.00000  116.34900
   44    39    40    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    54    63.00000  120.00000
   44    74    68    63.00000  120.00000
   44    74    75    70.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    63    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    63    64    35.00000  120.00000
   54    63    68    63.00000  120.00000
   63    54    55    35.00000  120.00000
   63    68    69    35.00000  120.00000
   63    68    74    63.00000  120.00000
   68    63    64    35.00000  120.00000
   68    74    75    70.00000  120.00000
   74    44    49    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    75    76    90.00000  114.16000
   75    76    77   110.00000  110.36100
   75    76    78   110.00000  110.36100
   75    76    79    60.00000  110.43500
   78    76    77   110.00000  107.78700
   79    76    77    55.00000  109.56900
   79    76    78    55.00000  109.56900
   45    39    40    35.00000  109.50000
   45    39    44    70.00000  112.99600
   45    51    56    70.00000  124.03900
   45    51    58    70.00000  124.00000
   45    52    53    80.00000  123.72100
   45    52    62    90.00000  111.29400
   51    56    57    35.00000  114.50000
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    35.00000  109.50000
   56    33    37    80.00000  112.42400
   56    33    46    80.00000  111.61500
   58    51    56    75.00000  116.24600
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    45    51    65.00000  118.96000
   52    62    65    83.00000  116.90000
   62    52    53    83.00000  123.40000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    70    50.00000  109.50000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    39   0.30250  1.0 1.0
   29    33    37    39  -0.14950 -1.0 2.0
   29    33    37    39   0.36900  1.0 3.0
   29    33    46    41   0.56750  1.0 1.0
   29    33    46    41  -0.07550 -1.0 2.0
   29    33    46    41   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.15000  1.0 3.0
   29    33    56    51  -0.12500  1.0 1.0
   29    33    56    51  -0.12500 -1.0 2.0
   29    33    56    51   0.25000  1.0 3.0
   29    33    56    57  -0.12500  1.0 1.0
   29    33    56    57  -0.12500 -1.0 2.0
   29    33    56    57   0.25000  1.0 3.0
   33    37   -38    41   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    39    40   0.34800  1.0 3.0
   33    37    39    44   0.09700  1.0 1.0
   33    37    39    44   0.15600 -1.0 2.0
   33    37    39    44  -0.50800  1.0 3.0
   33    37    39    45   0.09700  1.0 1.0
   33    37    39    45   0.15600 -1.0 2.0
   33    37    39    45  -0.50800  1.0 3.0
   37    33   -46    41   0.61850  1.0 1.0
   37    33   -46    41  -0.22750 -1.0 2.0
   37    33   -46    41   0.15300  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    48   0.15000  1.0 3.0
   37    33    56    51  -0.12500  1.0 1.0
   37    33    56    51  -0.12500 -1.0 2.0
   37    33    56    51   0.25000  1.0 3.0
   37    33    56    57  -0.12500  1.0 1.0
   37    33    56    57  -0.12500 -1.0 2.0
   37    33    56    57   0.25000  1.0 3.0
   37    38   -41    46  -2.26850  1.0 1.0
   37    38   -41    46   3.39050 -1.0 2.0
   37    38    42    43  -0.66100  1.0 1.0
   37    38    42    43   1.20850 -1.0 2.0
   37    38    42    43  -0.36000  1.0 3.0
   37    39    44    49   0.18050 -1.0 2.0
   37    39    44    74   0.18050 -1.0 2.0
   37    39   -45    51  -0.28300  1.0 1.0
   37    39   -45    51   0.26700 -1.0 2.0
   37    39   -45    51  -0.63300  1.0 3.0
   37    39    45    52   0.09700  1.0 1.0
   37    39    45    52   0.15600 -1.0 2.0
   37    39    45    52  -0.50800  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    44   1.44450  1.0 1.0
   38    37    39    44   0.06600 -1.0 2.0
   38    37    39    44   0.29250  1.0 3.0
   38    37    39    45  -0.28300  1.0 1.0
   38    37    39    45   0.26700 -1.0 2.0
   38    37    39    45  -0.63300  1.0 3.0
   38    41   -46    33  -0.46850  1.0 1.0
   38    41   -46    33   0.09300 -1.0 2.0
   38    41   -46    33  -0.12850  1.0 3.0
   38    41    46    47   0.08050  1.0 3.0
   38    41    46    48   0.08050  1.0 3.0
   41    38    42    43   2.00000 -1.0 2.0
   46    33   -37    38   0.09850  1.0 1.0
   46    33   -37    38   0.15250 -1.0 2.0
   46    33   -37    38  -0.50650  1.0 3.0
   46    33    37    39   0.46850  1.0 1.0
   46    33    37    39   0.08550 -1.0 2.0
   46    33    37    39   0.09800  1.0 3.0
   46    33    56    51   0.25450  1.0 1.0
   46    33    56    51  -0.61700 -1.0 2.0
   46    33    56    51  -0.23550  1.0 3.0
   46    33    56    57   0.00000  1.0 1.0
   42    38    41    46   2.00000 -1.0 2.0
   39    37    38    41   7.00000 -1.0 2.0
   39    37    38    42   7.00000 -1.0 2.0
   39    44    49    50   3.62500 -1.0 2.0
   39    44    49    54   3.62500 -1.0 2.0
   39    44    74    68   3.62500 -1.0 2.0
   39    44    74    75   3.62500 -1.0 2.0
   39    45    51    56   7.00000 -1.0 2.0
   39    45    51    58   7.00000 -1.0 2.0
   39    45    52    53  -0.64400  1.0 1.0
   39    45    52    53   0.26850 -1.0 2.0
   39    45    52    62  -0.15000  1.0 1.0
   39    45    52    62   0.89550 -1.0 2.0
   39    45    52    62  -0.06900  1.0 3.0
   40    39    44    49   0.00000  1.0 1.0
   40    39    44    74   0.00000  1.0 1.0
   40    39    45    51   0.00000  1.0 1.0
   40    39    45    52   0.15000  1.0 3.0
   44    39    45    51   1.44450  1.0 1.0
   44    39    45    51   0.06600 -1.0 2.0
   44    39    45    51   0.29250  1.0 3.0
   44    39    45    52   0.09700  1.0 1.0
   44    39    45    52   0.15600 -1.0 2.0
   44    39    45    52  -0.50800  1.0 3.0
   44    49    54    55   3.62500 -1.0 2.0
   44    49    54    63   3.62500 -1.0 2.0
   44    74    75    76   1.11600 -1.0 2.0
   49    44    74    68   3.62500 -1.0 2.0
   49    44    74    75   3.62500 -1.0 2.0
   49    54    63    64   3.62500 -1.0 2.0
   49    54   -63    68   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    63   3.62500 -1.0 2.0
   54    63    68    69   3.62500 -1.0 2.0
   54    63    68    74   3.62500 -1.0 2.0
   55    54    63    64   3.62500 -1.0 2.0
   55    54    63    68   3.62500 -1.0 2.0
   63    68   -74    44   3.62500 -1.0 2.0
   63    68    74    75   3.62500 -1.0 2.0
   64    63    68    69   3.62500 -1.0 2.0
   64    63    68    74   3.62500 -1.0 2.0
   68    74    75    76   1.11600 -1.0 2.0
   69    68    74    44   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   74    44    49    50   3.62500 -1.0 2.0
   74    44   -49    54   3.62500 -1.0 2.0
   74    75    76    77   0.73750  1.0 1.0
   74    75    76    77  -2.02850 -1.0 2.0
   74    75    76    77   0.37850  1.0 3.0
   74    75    76    78   0.73750  1.0 1.0
   74    75    76    78  -2.02850 -1.0 2.0
   74    75    76    78   0.37850  1.0 3.0
   74    75    76    79   0.08050  1.0 3.0
   45    39    44    49   0.18050 -1.0 2.0
   45    39    44    74   0.18050 -1.0 2.0
   45    51   -56    33  -0.54700  1.0 1.0
   45    51   -56    33   1.23000 -1.0 2.0
   45    51    56    57   1.00000 -1.0 2.0
   45    51    58    59   0.00000  1.0 1.0
   45    51    58    60   0.00000  1.0 1.0
   45    51    58    61   0.00000  1.0 1.0
   45    52    62    65   2.00000 -1.0 2.0
   51    45    52    53   1.00000 -1.0 2.0
   51    45    52    62  -0.56150  1.0 1.0
   51    45    52    62   2.19150 -1.0 2.0
   56    33    37    38   0.62150  1.0 1.0
   56    33    37    38   0.42850 -1.0 2.0
   56    33    37    38  -0.68200  1.0 3.0
   56    33   -37    39   0.09700  1.0 1.0
   56    33   -37    39   0.15600 -1.0 2.0
   56    33   -37    39  -0.50800  1.0 3.0
   56    33    46    41   2.03850  1.0 1.0
   56    33    46    41  -0.40600 -1.0 2.0
   56    33    46    47   0.22950  1.0 3.0
   56    33    46    48   0.22950  1.0 3.0
   56    51    58    59  -0.18050  1.0 3.0
   56    51    58    60  -0.18050  1.0 3.0
   56    51    58    61  -0.18050  1.0 3.0
   58    51    56    33   1.00000 -1.0 2.0
   58    51    56    57   2.40850 -1.0 2.0
   52    45    51    56   7.00000 -1.0 2.0
   52    45    51    58   7.00000 -1.0 2.0
   52    62    65    66   0.08050  1.0 3.0
   52    62    65    67   0.08050  1.0 3.0
   52    62    65    70  -0.25900  1.0 1.0
   52    62    65    70  -0.47000 -1.0 2.0
   52    62    65    70   0.11750  1.0 3.0
   53    52    62    65   3.00000 -1.0 2.0
   62    65    70    71   0.23400  1.0 3.0
   62    65    70    72   0.23400  1.0 3.0
   62    65    70    73   0.23400  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    73   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    38   1.10000 -1.0 2.0
   41    42    38    37   1.10000 -1.0 2.0
   49    74    44    39   4.00000 -1.0 2.0
   54    50    49    44   1.10000 -1.0 2.0
   63    55    54    49   1.10000 -1.0 2.0
   68    64    63    54   1.10000 -1.0 2.0
   74    69    68    63   1.10000 -1.0 2.0
   68    75    74    44   4.00000 -1.0 2.0
   39    52    45    51   1.10000 -1.0 2.0
   58    56    51    45   1.10000 -1.0 2.0
   57    51    56    33   1.00000 -1.0 2.0
   45    62    52    53  10.50000 -1.0 2.0
END
