* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    164    270     496
    1     0 S   NP   _N1_     1    28.65253    95.91371   -22.94764
    2     1 S   H    _HN1     2     1.02784   100.50977   -89.03044
    3     1 S   H    _H1_     3     1.02950    76.04954    17.46922
    4     1 S   H    _H2_     4     1.02828    36.51804   165.03984
    5     1 S   CT   _CA1     5     1.50113   141.46190   122.81593
    6     5 S   HC   _HA1     6     1.09573   105.19970    84.55656
    7     5 S   CO3  _C1_     7     1.53788   112.44625   -35.68037
    8     7 S   O2Z  _O11     8     1.26372   115.00536   -42.84875
    9     7 S   O2Z  _O12     9     1.26239   114.94731   136.27723
   10     5 S   CT   _CB1    10     1.53080   107.42047  -157.46630
   11    10 S   HC   HB11    11     1.09832   109.37356   -49.79553
   12    10 S   HC   HB12    12     1.09813   110.44654    66.81053
   13    10 S   CT   _CG1    13     1.52990   112.60599  -170.77904
   14    13 S   HC   HG11    14     1.09583   110.61767   -65.44930
   15    13 S   HC   HG12    15     1.09670   109.79950    53.78117
   16    13 S   C    _CD1    16     1.51802   112.23657   174.22844
   17    16 S   O    _OE1    17     1.22730   123.29111     6.30590
   18    16 S   N    _N2_    18     1.38656   111.66608  -173.77531
   19    18 S   H    _HN2    19     1.01579   118.93891     1.73246
   20    18 S   CT1  _CA2    20     1.46198   123.38886   177.61485
   21    20 S   HC   _HA2    21     1.09739   109.36643     2.47702
   22    20 S   C    _C2_    22     1.53569   108.59994  -112.98840
   23    22 S   O    _O2_    23     1.23061   122.27895  -147.93888
   24    20 S   CT   _CB2    32     1.53486   111.67229   124.47291
   25    24 S   HC   HB21    33     1.09537   109.57732    55.93756
   26    24 S   HC   HB22    34     1.09327   109.73980   174.74290
   27    22 S   N    _N3_    24     1.38327   113.71667    39.50001
   28    27 S   H    _HN3    25     1.01585   119.59060    -3.31918
   29    24 S   S    _SG2    35     1.83059   111.19237   -64.23919
   30    27 S   CT   _CA3    26     1.45288   123.20550   177.12928
   31    30 S   HC   HA31    27     1.09549   107.50812   -64.59858
   32    30 S   HC   HA32    28     1.09557   107.98544    51.83768
   33    29 S   CT   _C18    36     1.88714   102.64658  -166.71213
   34    30 S   CO3  _C3_    29     1.52959   114.08640   173.83681
   35    34 S   O2Z  _O31    30     1.26376   116.06724    -0.66910
   36    34 S   O2Z  _O32    31     1.26429   114.41153   179.39251
   37    33 S   CT   _C7_    37     1.54516   107.35219    73.68963
   38    37 S   HC   _H25    38     1.09203   114.65134   -34.48354
   39    37 S   HC   _H26    39     1.09332   112.78950  -159.64898
   40    33 S   CT   _C12    71     1.53461   108.49941   -49.49987
   41    40 S   HC   _H35    72     1.09602   110.68956    65.72925
   42    40 S   HC   _H36    73     1.09823   109.80462   -51.99585
   43    37 S   CO4  _C4_    40     1.50883   102.37746    84.89937
   44    43 S   O    _O19    41     1.22465   123.72033  -166.75054
   45    43 S   CT   _C6_    42     1.50875   112.54918    13.59123
   46    45 S   HC   _H23    43     1.09062   109.95987   134.05517
   47    45 S   HC   _H24    44     1.09477   108.29970  -106.60565
   48    33 S   CT   _C17    45     1.58532   111.97069  -173.89973
   49    48 S   CT   _C16    46     1.58806   111.09787   169.65001
   50    49 S   HC   _H41    47     1.09986   107.36479    65.34750
   51    48 S   CT   _C20    78     1.54496   113.55231    44.68920
   52    51 S   HC   _H42    79     1.09406   111.60018    64.02052
   53    51 S   HC   _H43    80     1.09374   112.81238   -57.22761
   54    51 S   HC   _H44    81     1.09418   111.62744  -174.74849
   55    49 S   CT   _C11    48     1.54706   113.82739  -178.30015
   56    55 S   HC   _H33    49     1.09396   110.88749    61.40705
   57    55 S   HC   _H34    50     1.09415   110.73116   -56.63989
   58    55 S   CT   _C13    51     1.52588   112.00184  -177.25134
   59    58 S   HC   _H37    52     1.09869   109.37451    65.08155
   60    58 S   HC   _H38    53     1.09765   109.79351   179.84934
   61    58 S   CT   _C19    54     1.53711   112.57534   -57.02236
   62    61 S   CT   _C14    55     1.53777   108.89918    56.01987
   63    62 S   HC   _H39    56     1.10183   107.12568    62.20560
   64    61 S   CT   _C21    74     1.53852   110.08142   -70.98052
   65    64 S   HC   _H45    75     1.09340   112.35171  -172.01446
   66    64 S   HC   _H46    76     1.09311   112.70847    66.10323
   67    64 S   HC   _H47    77     1.09655   110.24821   -54.70066
   68    62 S   CT   _C9_    57     1.53033   109.63407   176.36057
   69    68 S   HC   _H29    58     1.09708   109.58801  -159.71250
   70    68 S   HC   _H30    59     1.09751   110.38751    84.37570
   71    49 S   CT   _C15    66     1.55364   112.91550   -51.59889
   72    71 S   HC   _H40    67     1.09715   108.92825   -62.82264
   73    68 S   CT   _C8_    60     1.52445   113.74313   -38.19143
   74    73 S   HC   _H27    61     1.09703   108.32328  -127.92147
   75    73 S   HC   _H28    62     1.09602   109.98163   115.92702
   76    71 S   CT   _C10    68     1.53317   110.11129    55.16380
   77    76 S   HC   _H31    69     1.09610   110.12834  -175.32479
   78    76 S   HC   _H32    70     1.09646   110.05147    67.94268
   79    73 S   CO4  _C5_    63     1.50758   116.62232    -6.62247
   80    79 S   O    _O20    64     1.22863   121.34507  -152.02826
   81    61 S   OS   _O21    65     1.45175   105.79290   172.57971
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  23   2   1   1  14   6   5  13   6   5   7   4  11   4   3  14
  20   9   5   2   1   1  12   6   5  13   5   4  16  18   9   7
   3   2   1  11   6   5   6   3   5   4   3   2   1   1   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    48    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    45    48    49    76    40    41    42    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    44    45    46    47    48    49    50    55    71    76    77    78    40    41    42    51    52    53    54  
   35    36  
   36  
    0  
   38    39    43    44    45    46    47    48    49    76    40    41    42    51  
   39    43    44    45    48    40  
   43    44    45    48    40  
   41    42    51    43    45    48    49    62    71    72    76    77    78  
   42    48    71    76    77    78  
   48    71    76    77    78  
   44    45    46    47    48    49    51  
   45    46    47    48  
   46    47    48    49    50    55    71    51    52    53    54  
   47    48    49    51  
   48    49    51  
   49    50    55    56    57    58    62    71    72    76    51    52    53    54  
   50    55    56    57    58    59    60    61    62    63    68    71    72    76    77    78    51    52    53    54  
   55    56    57    58    62    71    72    76    51  
   52    53    54    55    71  
   53    54  
   54  
    0  
   56    57    58    59    60    61    62    81    71    72    76    64  
   57    58    59    60    61    71  
   58    59    60    61    71  
   59    60    61    62    63    68    79    81    71    64    65    66    67  
   60    61    62    81    64  
   61    62    81    64  
   62    63    68    69    70    73    79    80    81    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    81    71    72    76    77    78    64    65    66    67  
   68    69    70    73    81    71    72    76    64  
   65    66    67    68    71    79    81  
   66    67    81  
   67    81  
   81  
   69    70    73    74    75    79    80    81    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    73    81  
   76    77    78  
   74    75    79    80    81  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    48   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.522
   43    44   570.000  1.229
   43    45   317.000  1.522
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    71   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   268.000  1.529
   61    81   320.000  1.410
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.522
   79    80   570.000  1.229
   79    81   214.000  1.327
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   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  111.63000
   29    33    48    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    48    45    58.35000  112.70000
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    40    76    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    45    70.00000  116.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    48    63.00000  111.10000
   45    43    44    80.00000  120.40000
   45    48    49    58.35000  112.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    33    37    58.35000  112.70000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    71    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    57    37.50000  110.70000
   49    55    58    58.35000  112.70000
   49    71    62    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    76    58.35000  112.70000
   55    49    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    37.50000  110.70000
   58    55    57    37.50000  110.70000
   58    61    62    58.35000  112.70000
   58    61    81    50.00000  109.50000
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    81    79    83.00000  116.90000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    63.00000  111.10000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    80.00000  120.40000
   73    79    81    81.00000  111.40000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   81    61    62    50.00000  109.50000
   81    79    80    83.00000  123.40000
   71    49    50    37.50000  110.70000
   71    49    55    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    40    58.35000  112.70000
   76    71    72    37.50000  110.70000
   76    40    41    37.50000  110.70000
   76    40    42    37.50000  110.70000
   78    76    77    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    48    58.35000  112.70000
   40    76    77    37.50000  110.70000
   40    76    78    37.50000  110.70000
   42    40    41    33.00000  107.80000
   64    61    62    58.35000  112.70000
   64    61    81    50.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   0.20200  1.0 3.0
   29    33    48    49   0.44750  1.0 1.0
   29    33    48    49  -0.17800 -1.0 2.0
   29    33    48    49   0.20200  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   29    33    40    76   0.44750  1.0 1.0
   29    33    40    76  -0.17800 -1.0 2.0
   29    33    40    76   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    45   0.60050  1.0 1.0
   33    37   -43    45   0.05600 -1.0 2.0
   33    37   -43    45   0.26150  1.0 3.0
   33    48    49    50   0.15000  1.0 3.0
   33    48    49    55   0.56750  1.0 1.0
   33    48    49    55  -0.07550 -1.0 2.0
   33    48    49    55   0.20000  1.0 3.0
   33    48    49    71   0.56750  1.0 1.0
   33    48    49    71  -0.07550 -1.0 2.0
   33    48    49    71   0.20000  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    53   0.15000  1.0 3.0
   33    48    51    54   0.15000  1.0 3.0
   37    33   -48    45   0.56750  1.0 1.0
   37    33   -48    45  -0.07550 -1.0 2.0
   37    33   -48    45   0.20000  1.0 3.0
   37    33    48    49   0.56750  1.0 1.0
   37    33    48    49  -0.07550 -1.0 2.0
   37    33    48    49   0.20000  1.0 3.0
   37    33    48    51   0.56750  1.0 1.0
   37    33    48    51  -0.07550 -1.0 2.0
   37    33    48    51   0.20000  1.0 3.0
   37    33    40    76   0.56750  1.0 1.0
   37    33    40    76  -0.07550 -1.0 2.0
   37    33    40    76   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43    45    47   0.00000  1.0 1.0
   37    43   -45    48   0.60050  1.0 1.0
   37    43   -45    48   0.05600 -1.0 2.0
   37    43   -45    48   0.26150  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    45   0.00000  1.0 1.0
   39    37    43    44   0.00000  1.0 1.0
   39    37    43    45   0.00000  1.0 1.0
   43    45   -48    33  -0.95700  1.0 1.0
   43    45   -48    33  -0.18200 -1.0 2.0
   43    45   -48    33   0.29450  1.0 3.0
   43    45    48    49  -0.95700  1.0 1.0
   43    45    48    49  -0.18200 -1.0 2.0
   43    45    48    49   0.29450  1.0 3.0
   43    45    48    51  -0.95700  1.0 1.0
   43    45    48    51  -0.18200 -1.0 2.0
   43    45    48    51   0.29450  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.00000  1.0 1.0
   44    43    45    48   0.30150 -1.0 2.0
   45    48    49    50   0.15000  1.0 3.0
   45    48    49    55   0.56750  1.0 1.0
   45    48    49    55  -0.07550 -1.0 2.0
   45    48    49    55   0.20000  1.0 3.0
   45    48    49    71   0.56750  1.0 1.0
   45    48    49    71  -0.07550 -1.0 2.0
   45    48    49    71   0.20000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48    51    54   0.15000  1.0 3.0
   46    45    48    33   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    33    37    38   0.15000  1.0 3.0
   48    33    37    39   0.15000  1.0 3.0
   48    33   -37    43  -0.95700  1.0 1.0
   48    33   -37    43  -0.18200 -1.0 2.0
   48    33   -37    43   0.29450  1.0 3.0
   48    33    40    76   0.56750  1.0 1.0
   48    33    40    76  -0.07550 -1.0 2.0
   48    33    40    76   0.20000  1.0 3.0
   48    33    40    41   0.15000  1.0 3.0
   48    33    40    42   0.15000  1.0 3.0
   48    49    55    56   0.15000  1.0 3.0
   48    49    55    57   0.15000  1.0 3.0
   48    49    55    58   0.56750  1.0 1.0
   48    49    55    58  -0.07550 -1.0 2.0
   48    49    55    58   0.20000  1.0 3.0
   48    49    71    62   0.56750  1.0 1.0
   48    49    71    62  -0.07550 -1.0 2.0
   48    49    71    62   0.20000  1.0 3.0
   48    49    71    72   0.15000  1.0 3.0
   48    49   -71    76   0.56750  1.0 1.0
   48    49   -71    76  -0.07550 -1.0 2.0
   48    49   -71    76   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   49    55    58    59   0.15000  1.0 3.0
   49    55    58    60   0.15000  1.0 3.0
   49    55    58    61   0.56750  1.0 1.0
   49    55    58    61  -0.07550 -1.0 2.0
   49    55    58    61   0.20000  1.0 3.0
   49    71    76    77   0.15000  1.0 3.0
   49    71    76    78   0.15000  1.0 3.0
   49    71    76    40   0.56750  1.0 1.0
   49    71    76    40  -0.07550 -1.0 2.0
   49    71    76    40   0.20000  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    49    71    62   0.15000  1.0 3.0
   50    49    71    72   0.15000  1.0 3.0
   50    49    71    76   0.15000  1.0 3.0
   55    49    71    62   0.56750  1.0 1.0
   55    49    71    62  -0.07550 -1.0 2.0
   55    49    71    62   0.20000  1.0 3.0
   55    49    71    72   0.15000  1.0 3.0
   55    49    71    76   0.56750  1.0 1.0
   55    49    71    76  -0.07550 -1.0 2.0
   55    49    71    76   0.20000  1.0 3.0
   55    58   -61    62   0.56750  1.0 1.0
   55    58   -61    62  -0.07550 -1.0 2.0
   55    58   -61    62   0.20000  1.0 3.0
   55    58    61    81   0.62750  1.0 1.0
   55    58    61    81  -0.30950 -1.0 2.0
   55    58    61    81   0.27300  1.0 3.0
   55    58    61    64   0.56750  1.0 1.0
   55    58    61    64  -0.07550 -1.0 2.0
   55    58    61    64   0.20000  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   57    55    58    59   0.15000  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    68   0.56750  1.0 1.0
   58    61    62    68  -0.07550 -1.0 2.0
   58    61    62    68   0.20000  1.0 3.0
   58    61    62    71   0.56750  1.0 1.0
   58    61    62    71  -0.07550 -1.0 2.0
   58    61    62    71   0.20000  1.0 3.0
   58    61    81    79  -0.25900  1.0 1.0
   58    61    81    79  -0.47000 -1.0 2.0
   58    61    81    79   0.11750  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    81   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    81   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    70   0.15000  1.0 3.0
   61    62    68    73   0.56750  1.0 1.0
   61    62    68    73  -0.07550 -1.0 2.0
   61    62    68    73   0.20000  1.0 3.0
   61    62   -71    49   0.56750  1.0 1.0
   61    62   -71    49  -0.07550 -1.0 2.0
   61    62   -71    49   0.20000  1.0 3.0
   61    62    71    72   0.15000  1.0 3.0
   61    62    71    76   0.56750  1.0 1.0
   61    62    71    76  -0.07550 -1.0 2.0
   61    62    71    76   0.20000  1.0 3.0
   62    61    81    79  -0.25900  1.0 1.0
   62    61    81    79  -0.47000 -1.0 2.0
   62    61    81    79   0.11750  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68   -73    79  -0.95700  1.0 1.0
   62    68   -73    79  -0.18200 -1.0 2.0
   62    68   -73    79   0.29450  1.0 3.0
   62    71    76    77   0.15000  1.0 3.0
   62    71    76    78   0.15000  1.0 3.0
   62    71    76    40   0.56750  1.0 1.0
   62    71    76    40  -0.07550 -1.0 2.0
   62    71    76    40   0.20000  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   63    62    71    49   0.15000  1.0 3.0
   63    62    71    72   0.15000  1.0 3.0
   63    62    71    76   0.15000  1.0 3.0
   68    62    71    49   0.56750  1.0 1.0
   68    62    71    49  -0.07550 -1.0 2.0
   68    62    71    49   0.20000  1.0 3.0
   68    62    71    72   0.15000  1.0 3.0
   68    62    71    76   0.56750  1.0 1.0
   68    62    71    76  -0.07550 -1.0 2.0
   68    62    71    76   0.20000  1.0 3.0
   68    73    79    80   0.30150 -1.0 2.0
   68    73    79    81   0.36750  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    79  -0.11250  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    79  -0.11250  1.0 3.0
   73    79   -81    61   1.63150  1.0 1.0
   73    79   -81    61   2.92000 -1.0 2.0
   74    73    79    80   0.00000  1.0 1.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.00000  1.0 1.0
   75    73    79    81   0.00000  1.0 1.0
   80    79    81    61   3.00000 -1.0 2.0
   81    61    62    63   0.23400  1.0 3.0
   81    61   -62    68   0.62750  1.0 1.0
   81    61   -62    68  -0.30950 -1.0 2.0
   81    61   -62    68   0.27300  1.0 3.0
   81    61    62    71   0.62750  1.0 1.0
   81    61    62    71  -0.30950 -1.0 2.0
   81    61    62    71   0.27300  1.0 3.0
   81    61    64    65   0.23400  1.0 3.0
   81    61    64    66   0.23400  1.0 3.0
   81    61    64    67   0.23400  1.0 3.0
   71    49    55    56   0.15000  1.0 3.0
   71    49    55    57   0.15000  1.0 3.0
   71    49   -55    58   0.56750  1.0 1.0
   71    49   -55    58  -0.07550 -1.0 2.0
   71    49   -55    58   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76   -40    33   0.56750  1.0 1.0
   71    76   -40    33  -0.07550 -1.0 2.0
   71    76   -40    33   0.20000  1.0 3.0
   71    76    40    41   0.15000  1.0 3.0
   71    76    40    42   0.15000  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    40   0.15000  1.0 3.0
   77    76    40    33   0.15000  1.0 3.0
   77    76    40    41   0.15000  1.0 3.0
   77    76    40    42   0.15000  1.0 3.0
   78    76    40    33   0.15000  1.0 3.0
   78    76    40    41   0.15000  1.0 3.0
   78    76    40    42   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    43  -0.95700  1.0 1.0
   40    33    37    43  -0.18200 -1.0 2.0
   40    33    37    43   0.29450  1.0 3.0
   40    33    48    45   0.56750  1.0 1.0
   40    33    48    45  -0.07550 -1.0 2.0
   40    33    48    45   0.20000  1.0 3.0
   40    33   -48    49   0.56750  1.0 1.0
   40    33   -48    49  -0.07550 -1.0 2.0
   40    33   -48    49   0.20000  1.0 3.0
   40    33    48    51   0.56750  1.0 1.0
   40    33    48    51  -0.07550 -1.0 2.0
   40    33    48    51   0.20000  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    81    79  -0.25900  1.0 1.0
   64    61    81    79  -0.47000 -1.0 2.0
   64    61    81    79   0.11750  1.0 3.0
   51    48    49    50   0.15000  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    71   0.56750  1.0 1.0
   51    48    49    71  -0.07550 -1.0 2.0
   51    48    49    71   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    43    44  10.50000 -1.0 2.0
   73    81    79    80  10.50000 -1.0 2.0
END
