* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    243     474
    1     0 S   NP   _N1_     1    28.69920    95.58535   -22.87125
    2     1 S   H    _HN1     2     1.02788   102.21295  -101.79982
    3     1 S   H    _H1_     3     1.02954    78.43140     4.68951
    4     1 S   H    _H2_     4     1.02837    33.16045   154.13371
    5     1 S   CT   _CA1     5     1.50108   138.38688   112.50356
    6     5 S   HC   _HA1     6     1.09571   105.24067    82.03257
    7     5 S   CO3  _C1_     7     1.53776   112.38889   -38.28282
    8     7 S   O2Z  _O11     8     1.26367   114.99823   -44.61382
    9     7 S   O2Z  _O12     9     1.26230   114.92949   134.57241
   10     5 S   CT   _CB1    10     1.53070   107.43394  -159.98682
   11    10 S   HC   HB11    11     1.09835   109.39552   -50.12673
   12    10 S   HC   HB12    12     1.09823   110.42078    66.43481
   13    10 S   CT   _CG1    13     1.53031   112.65348  -171.14963
   14    13 S   HC   HG11    14     1.09583   110.60596   -64.10384
   15    13 S   HC   HG12    15     1.09649   109.90361    55.20994
   16    13 S   C    _CD1    16     1.51721   112.09367   175.64900
   17    16 S   O    _OE1    17     1.22776   123.23944     3.82157
   18    16 S   N    _N2_    18     1.38628   111.92158  -176.62304
   19    18 S   H    _HN2    19     1.01595   119.12290     3.65875
   20    18 S   CT1  _CA2    20     1.45808   122.59592   177.61066
   21    20 S   HC   _HA2    21     1.09428   109.49619    16.93909
   22    20 S   C    _C2_    22     1.52677   105.37590   -99.20420
   23    22 S   O    _O2_    23     1.22930   122.69383   -93.13362
   24    20 S   CT   _CB2    32     1.53253   111.81127   140.18227
   25    24 S   HC   HB21    33     1.09620   110.37721    51.32809
   26    24 S   HC   HB22    34     1.09556   111.03736   169.58833
   27    22 S   N    _N3_    24     1.38524   112.71033    83.70824
   28    27 S   H    _HN3    25     1.01695   120.02779    -1.20577
   29    24 S   S    _SG2    35     1.82979   112.61638   -68.12037
   30    27 S   CT   _CA3    26     1.45323   122.56765  -179.35898
   31    30 S   HC   HA31    27     1.09569   107.28807   -63.84297
   32    30 S   HC   HA32    28     1.09552   108.15416    52.41839
   33    29 S   CT   _C23    36     1.84597    99.81268   -74.24820
   34    33 S   HC   _H3_    37     1.09329   107.51060    20.28515
   35    30 S   CO3  _C3_    29     1.52860   114.10665   173.92643
   36    35 S   O2Z  _O31    30     1.26340   115.86573   -22.09808
   37    35 S   O2Z  _O32    31     1.26402   114.59198   158.32307
   38    33 S   CT   _C21    38     1.53832   108.41031   -95.23429
   39    38 S   HC   _H49    39     1.09592   111.52104    50.68125
   40    38 S   HC   _H50    40     1.09547   110.18364   169.53371
   41    33 S   CT   _C22    43     1.55036   111.56359   139.34649
   42    41 S   HC   _H51    44     1.09853   110.11048    64.63685
   43    38 S   OH   _O25    41     1.42120   111.26368   -71.04308
   44    43 S   HO   _H54    42     0.97242   107.17066  -179.66780
   45    41 S   CO4  _C11    45     1.52483   109.67266  -178.92607
   46    45 S   O    _O22    46     1.22427   123.66058  -119.75596
   47    41 S   CT   _C20    84     1.53614   114.03496   -57.16071
   48    47 S   HC   _H47    85     1.09393   111.57319   -61.10784
   49    47 S   HC   _H48    86     1.09305   111.71760    60.52281
   50    45 S   OS   _O26    47     1.36374   110.51367    59.79181
   51    47 S   OH   _O24    87     1.42433   109.61002   178.85141
   52    51 S   HO   _H53    88     0.97272   107.00202  -179.35169
   53    50 S   CT   _C17    48     1.44718   118.63177  -178.66192
   54    53 S   HC   _H40    49     1.09549   107.52860    29.14167
   55    53 S   CT   _C13    50     1.56194   108.93489   -85.26265
   56    55 S   HC   _H34    51     1.09826   107.12117   154.55529
   57    55 S   HC   _H35    52     1.09775   109.79898    40.27187
   58    53 S   CT   _C16    67     1.55870   109.79101   147.36539
   59    58 S   HC   _H39    68     1.09570   109.31859   133.88090
   60    55 S   CM   _C6_    53     1.52243   117.33183   -83.69786
   61    58 S   CM   _C8_    69     1.49999   118.89560  -107.58495
   62    60 S   CM   _C4_    54     1.34898   120.71271    67.61653
   63    62 S   HC   _H28    55     1.08843   118.01186     5.51264
   64    61 S   CO4  _C9_    70     1.48742   107.65568   155.41867
   65    64 S   O    _O21    71     1.21743   127.02273   166.12840
   66    61 S   CM   _C10    73     1.33561   131.31085   -24.63781
   67    66 S   HC   _H30    74     1.08390   121.76776    -0.80649
   68    66 S   HC   _H31    75     1.08569   121.45736   179.93744
   69    60 S   CT   _C18    80     1.50668   114.55081  -109.95089
   70    69 S   HC   _H41    81     1.09570   109.64554   -57.91282
   71    69 S   HC   _H42    82     1.09121   113.78208  -177.07966
   72    69 S   HC   _H43    83     1.09367   110.94762    61.36857
   73    62 S   CT   _C12    56     1.51339   127.25103  -164.39884
   74    73 S   HC   _H32    57     1.09637   108.90191  -135.22509
   75    73 S   HC   _H33    58     1.09305   112.07415   -18.38292
   76    87 S   OS   _O23    72     1.42988   113.54140   -53.49815
   77    73 S   CT   _C14    59     1.55191   111.79293   104.01079
   78    77 S   HC   _H36    60     1.09648   109.92418  -166.42817
   79    77 S   HC   _H37    61     1.09788   108.70765    78.31131
   80    77 S   CM   _C7_    62     1.52276   111.91159   -43.51379
   81    80 S   CM   _C5_    63     1.34806   117.47993    88.84981
   82    81 S   HC   _H29    64     1.09061   116.68768     7.85218
   83    80 S   CT   _C19    76     1.49949   115.73635   -82.95504
   84    83 S   HC   _H44    77     1.09499   109.69841   -68.16334
   85    83 S   HC   _H45    78     1.09139   113.33825   171.74990
   86    83 S   HC   _H46    79     1.09407   110.76713    51.11100
   87    81 S   CT   _C15    65     1.49872   129.80448  -157.99025
   88    87 S   HC   _H38    66     1.09942   107.19852  -169.71403
  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  10   5   4   3
  15   8   2   1   1   8   4   3  11   7   1   1  10   3   5   3
   2  10   1   1  16   8  14   5   4  14   7  10   9  12   5   8
   3   4   1   1   4   2   1   1   8   5   4   5  10   4   3   8
   7   3   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    41    42    45    46    50    47    48    49    51  
   38    39    40    43    41    42    45    47  
   36    37  
   37  
    0  
   39    40    43    44    41    42    45    47  
   40    43    44    41  
   43    44    41  
   42    45    46    50    53    47    48    49    51    52    43  
   45    46    50    47    48    49    51  
   44  
    0  
   46    50    53    54    55    58    47    48    49    51  
   50    53    47  
   48    49    51    52    50  
   49    51    52  
   51    52  
   53    54    55    56    57    60    87    58    59    61  
   52  
    0  
   54    55    56    57    60    62    81    87    88    58    59    61    64    76    66    69  
   55    56    57    60    87    58    59    61  
   56    57    60    62    63    73    87    58    59    61    69    70    71    72  
   57    60    62    58    69  
   60    62    58    69  
   59    61    64    65    76    66    67    68    60    80    81    82    87    88  
   61    64    76    66    81    87    88  
   62    63    73    74    75    77    69    70    71    72  
   64    65    76    66    67    68    81    87    88  
   63    73    74    75    77    78    79    80    69    70    71    72  
   73    74    75    77    69  
   65    76    66    67    68    81    87    88  
   76    66    87  
   67    68    76    87  
   68  
    0  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    77    78    79    80    81    83  
   75    77    78    79    80  
   77    78    79    80  
   80    81    82    87    88  
   78    79    80    81    82    87    83    84    85    86  
   79    80    81    83  
   80    81    83  
   81    82    87    88    83    84    85    86  
   82    87    88    83    84    85    86  
   87    88    83  
   84    85    86    87  
   85    86  
   86  
    0  
   88  
    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   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    44   553.000  0.945
   41    42   340.000  1.090
   41    45   317.000  1.522
   41    47   268.000  1.529
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   317.000  1.510
   60    62   549.000  1.340
   60    69   317.000  1.510
   62    63   340.000  1.080
   62    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   317.000  1.510
   80    81   549.000  1.340
   80    83   317.000  1.510
   81    82   340.000  1.080
   81    87   317.000  1.510
   87    88   340.000  1.090
   87    58   268.000  1.529
   87    76   320.000  1.410
   58    59   340.000  1.090
   58    61   317.000  1.510
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    76   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   320.000  1.410
   51    52   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    45    63.00000  111.10000
   33    41    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    55.00000  108.50000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    80.00000  120.40000
   41    45    50    81.00000  111.40000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    51    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    50.00000  109.50000
   50    53    58    50.00000  109.50000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    60    70.00000  112.02700
   53    58    87    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    61    70.00000  112.02700
   55    53    54    37.50000  110.70000
   55    60    62    70.00000  124.00000
   55    60    69    65.00000  117.92700
   57    55    56    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    35.00000  109.50000
   60    62    63    35.00000  120.00000
   60    62    73    70.00000  124.00000
   60    69    70    35.00000  109.50000
   60    69    71    35.00000  109.50000
   60    69    72    35.00000  109.50000
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   62    73    77    70.00000  112.02700
   73    62    63    35.00000  117.00000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    70.00000  112.02700
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   77    80    81    70.00000  124.00000
   77    80    83    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
   80    81    82    35.00000  120.00000
   80    81    87    70.00000  124.00000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    58    70.00000  112.02700
   81    87    76    85.00000  110.90400
   87    81    82    35.00000  117.00000
   87    58    59    37.50000  110.70000
   87    58    61    70.00000  112.02700
   87    76    64    83.00000  116.90000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    87    88    37.50000  110.70000
   58    61    64    65.00000  116.34900
   58    61    66    70.00000  124.00000
   61    58    59    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    76    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   76    87    88    35.00000  109.50000
   76    87    58    50.00000  109.50000
   76    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   83    80    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   69    60    62    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   47    41    42    37.50000  110.70000
   47    41    45    63.00000  111.10000
   47    51    52    55.00000  108.50000
   49    47    48    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    41    45    46   0.30150 -1.0 2.0
   33    41    45    50   0.36750  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    51   0.86500  1.0 1.0
   33    41    47    51  -0.17500 -1.0 2.0
   33    41    47    51   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45  -0.11250  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45  -0.95700  1.0 1.0
   38    33    41    45  -0.18200 -1.0 2.0
   38    33    41    45   0.29450  1.0 3.0
   38    33    41    47   0.56750  1.0 1.0
   38    33    41    47  -0.07550 -1.0 2.0
   38    33    41    47   0.20000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44   0.19450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.86500  1.0 1.0
   41    33    38    43  -0.17500 -1.0 2.0
   41    33    38    43   0.20800  1.0 3.0
   41    45    50    53   1.63150  1.0 1.0
   41    45    50    53   2.92000 -1.0 2.0
   41    47    51    52  -0.11600  1.0 1.0
   41    47    51    52  -0.09450 -1.0 2.0
   41    47    51    52   0.21250  1.0 3.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    50   0.00000  1.0 1.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    51   0.23400  1.0 3.0
   45    41    47    48  -0.11250  1.0 3.0
   45    41    47    49  -0.11250  1.0 3.0
   45    41    47    51  -0.09450  1.0 1.0
   45    41    47    51  -1.12950 -1.0 2.0
   45    41    47    51   0.54000  1.0 3.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55  -0.25900  1.0 1.0
   45    50    53    55  -0.47000 -1.0 2.0
   45    50    53    55   0.11750  1.0 3.0
   45    50    53    58  -0.25900  1.0 1.0
   45    50    53    58  -0.47000 -1.0 2.0
   45    50    53    58   0.11750  1.0 3.0
   46    45    50    53   3.00000 -1.0 2.0
   50    53    55    56   0.23400  1.0 3.0
   50    53    55    57   0.23400  1.0 3.0
   50    53    55    60   0.61850  1.0 1.0
   50    53    55    60  -0.22750 -1.0 2.0
   50    53    55    60   0.15300  1.0 3.0
   50    53    58    87   0.62750  1.0 1.0
   50    53    58    87  -0.30950 -1.0 2.0
   50    53    58    87   0.27300  1.0 3.0
   50    53    58    59   0.23400  1.0 3.0
   50    53    58    61   0.61850  1.0 1.0
   50    53    58    61  -0.22750 -1.0 2.0
   50    53    58    61   0.15300  1.0 3.0
   53    55    60    62   0.09850  1.0 1.0
   53    55    60    62   0.15250 -1.0 2.0
   53    55    60    62  -0.50650  1.0 3.0
   53    55    60    69   0.46850  1.0 1.0
   53    55    60    69   0.08550 -1.0 2.0
   53    55    60    69   0.09800  1.0 3.0
   53    58    61    64   0.09700  1.0 1.0
   53    58    61    64   0.15600 -1.0 2.0
   53    58    61    64  -0.50800  1.0 3.0
   53    58    61    66   0.09850  1.0 1.0
   53    58    61    66   0.15250 -1.0 2.0
   53    58    61    66  -0.50650  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.15000  1.0 3.0
   54    53    58    87   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    87   0.56750  1.0 1.0
   55    53    58    87  -0.07550 -1.0 2.0
   55    53    58    87   0.20000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61   0.34400  1.0 1.0
   55    53    58    61   0.09450 -1.0 2.0
   55    53    58    61   0.11100  1.0 3.0
   55    60    62    63   7.00000 -1.0 2.0
   55    60    62    73   7.00000 -1.0 2.0
   55    60    69    70   0.34800  1.0 3.0
   55    60    69    71   0.34800  1.0 3.0
   55    60    69    72   0.34800  1.0 3.0
   56    55    60    62   0.00000  1.0 1.0
   56    55    60    69   0.34800  1.0 3.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    69   0.34800  1.0 3.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   60    62    73    77   0.09850  1.0 1.0
   60    62    73    77   0.15250 -1.0 2.0
   60    62    73    77  -0.50650  1.0 3.0
   62    60    69    70   0.00000  1.0 1.0
   62    60    69    71   0.00000  1.0 1.0
   62    60    69    72   0.00000  1.0 1.0
   62    73    77    78   0.15000  1.0 3.0
   62    73    77    79   0.15000  1.0 3.0
   62    73    77    80   0.31000  1.0 1.0
   62    73    77    80   0.14700 -1.0 2.0
   62    73    77    80   0.07550  1.0 3.0
   63    62    73    74   0.33100  1.0 3.0
   63    62    73    75   0.33100  1.0 3.0
   63    62    73    77   0.00000  1.0 1.0
   73    77    80    81   0.09850  1.0 1.0
   73    77    80    81   0.15250 -1.0 2.0
   73    77    80    81  -0.50650  1.0 3.0
   73    77    80    83   0.46850  1.0 1.0
   73    77    80    83   0.08550 -1.0 2.0
   73    77    80    83   0.09800  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   77    80    81    82   7.00000 -1.0 2.0
   77    80    81    87   7.00000 -1.0 2.0
   77    80    83    84   0.34800  1.0 3.0
   77    80    83    85   0.34800  1.0 3.0
   77    80    83    86   0.34800  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    83   0.34800  1.0 3.0
   79    77    80    81   0.00000  1.0 1.0
   79    77    80    83   0.34800  1.0 3.0
   80    81    87    88   0.00000  1.0 1.0
   80    81    87    58   0.09850  1.0 1.0
   80    81    87    58   0.15250 -1.0 2.0
   80    81    87    58  -0.50650  1.0 3.0
   80    81    87    76   0.39000  1.0 1.0
   80    81    87    76  -0.05800 -1.0 2.0
   80    81    87    76  -0.55150  1.0 3.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    85   0.00000  1.0 1.0
   81    80    83    86   0.00000  1.0 1.0
   81    87    58    53   0.34400  1.0 1.0
   81    87    58    53   0.09450 -1.0 2.0
   81    87    58    53   0.11100  1.0 3.0
   81    87    58    59   0.15000  1.0 3.0
   81    87    58    61   0.31000  1.0 1.0
   81    87    58    61   0.14700 -1.0 2.0
   81    87    58    61   0.07550  1.0 3.0
   81    87    76    64  -0.82050  1.0 1.0
   81    87    76    64   0.00600 -1.0 2.0
   81    87    76    64   0.04400  1.0 3.0
   82    81    87    88   0.33100  1.0 3.0
   82    81    87    58   0.00000  1.0 1.0
   82    81    87    76   0.00000  1.0 1.0
   87    58   -61    64   0.09700  1.0 1.0
   87    58   -61    64   0.15600 -1.0 2.0
   87    58   -61    64  -0.50800  1.0 3.0
   87    58    61    66   0.09850  1.0 1.0
   87    58    61    66   0.15250 -1.0 2.0
   87    58    61    66  -0.50650  1.0 3.0
   88    87    58    53   0.15000  1.0 3.0
   88    87    58    59   0.15000  1.0 3.0
   88    87    58    61   0.15000  1.0 3.0
   88    87    76    64   0.08050  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    60   0.34400  1.0 1.0
   58    53    55    60   0.09450 -1.0 2.0
   58    53    55    60   0.11100  1.0 3.0
   58    87   -76    64  -0.25900  1.0 1.0
   58    87   -76    64  -0.47000 -1.0 2.0
   58    87   -76    64   0.11750  1.0 3.0
   58    61    64    65  -0.64400  1.0 1.0
   58    61    64    65   0.26850 -1.0 2.0
   58    61   -64    76  -0.15000  1.0 1.0
   58    61   -64    76   0.89550 -1.0 2.0
   58    61   -64    76  -0.06900  1.0 3.0
   58    61    66    67   7.00000 -1.0 2.0
   58    61    66    68   7.00000 -1.0 2.0
   59    58    61    64   0.15000  1.0 3.0
   59    58    61    66   0.00000  1.0 1.0
   61    64   -76    87   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    76    87   3.00000 -1.0 2.0
   76    87    58    53   0.62750  1.0 1.0
   76    87    58    53  -0.30950 -1.0 2.0
   76    87    58    53   0.27300  1.0 3.0
   76    87    58    59   0.23400  1.0 3.0
   76    87   -58    61   0.61850  1.0 1.0
   76    87   -58    61  -0.22750 -1.0 2.0
   76    87   -58    61   0.15300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    76  -0.56150  1.0 1.0
   66    61    64    76   2.19150 -1.0 2.0
   83    80    81    82   7.00000 -1.0 2.0
   83    80    81    87   7.00000 -1.0 2.0
   69    60    62    63   7.00000 -1.0 2.0
   69    60    62    73   7.00000 -1.0 2.0
   47    41    45    46   0.30150 -1.0 2.0
   47    41    45    50   0.36750  1.0 3.0
   48    47    51    52   0.19450  1.0 3.0
   49    47    51    52   0.19450  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
   37    30    35    36  10.50000 -1.0 2.0
   41    50    45    46  10.50000 -1.0 2.0
   55    69    60    62   1.10000 -1.0 2.0
   73    63    62    60   1.10000 -1.0 2.0
   77    83    80    81   1.10000 -1.0 2.0
   87    82    81    80   1.10000 -1.0 2.0
   58    64    61    66   1.10000 -1.0 2.0
   61    76    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
END
