* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    153    239     453
    1     0 S   NP   _N1_     1    29.66468    90.87673   -22.84252
    2     1 S   H    _HN1     2     1.03201   110.80584    45.30900
    3     1 S   H    _H1_     3     1.02796     6.94029   106.17160
    4     1 S   H    _H2_     4     1.02761   101.16940   -68.76323
    5     1 S   CT   _CA1     5     1.50123   114.21890   170.61634
    6     5 S   HC   _HA1     6     1.09561   105.32470    57.13351
    7     5 S   CO3  _C1_     7     1.53832   112.39348   -63.25661
    8     7 S   O2Z  _O11     8     1.26352   115.17312   -45.30652
    9     7 S   O2Z  _O12     9     1.26269   114.84668   133.86334
   10     5 S   CT   _CB1    10     1.52947   107.12191   175.16637
   11    10 S   HC   HB11    11     1.09824   109.45701   -48.82209
   12    10 S   HC   HB12    12     1.09742   110.28901    67.63005
   13    10 S   CT   _CG1    13     1.52923   113.26299  -170.57921
   14    13 S   HC   HG11    14     1.09481   110.39923   -56.53137
   15    13 S   HC   HG12    15     1.09556   110.70821    62.79285
   16    13 S   C    _CD1    16     1.51688   109.98397  -178.03109
   17    16 S   O    _OE1    17     1.22867   122.18934   -42.39954
   18    16 S   N    _N2_    18     1.38345   112.86077   137.93810
   19    18 S   H    _HN2    19     1.01547   119.48209     3.84313
   20    18 S   CT1  _CA2    20     1.46017   123.11430  -176.40196
   21    20 S   HC   _HA2    21     1.09628   109.39982    -2.84207
   22    20 S   C    _C2_    22     1.53406   108.70507  -118.37734
   23    22 S   O    _O2_    23     1.23032   122.20003  -144.42984
   24    20 S   CT   _CB2    32     1.53357   111.43365   119.13109
   25    24 S   HC   HB21    33     1.09655   109.75053    62.56766
   26    24 S   HC   HB22    34     1.09584   110.73412   179.84934
   27    22 S   N    _N3_    24     1.38504   113.50393    42.91720
   28    27 S   H    _HN3    25     1.01500   119.01332    -0.33688
   29    24 S   S    _SG2    35     1.82999   114.90480   -57.47863
   30    27 S   CT   _CA3    26     1.45431   123.26834   175.12420
   31    30 S   HC   HA31    27     1.09534   109.07697    28.04815
   32    30 S   HC   HA32    28     1.09492   107.18219   145.01406
   33    29 S   CT   _C20    36     1.82141    99.96520   -61.42327
   34    33 S   HC   _H3_    37     1.09473   108.77606   -32.77502
   35    33 S   HC   _H4_    38     1.09302   109.55023    83.61906
   36    30 S   CO3  _C3_    29     1.52925   113.14243   -95.31260
   37    36 S   O2Z  _O31    30     1.26398   115.40292   -45.55368
   38    36 S   O2Z  _O32    31     1.26354   114.99133   135.37143
   39    33 S   CM   _C4_    39     1.50104   110.42651  -154.57191
   40    39 S   CMA  _C5_    40     1.35146   126.32971   105.90041
   41    40 S   OM   _O18    41     1.26326   128.11588     0.32984
   42    40 S   OS   _O21    42     1.42285   109.66416  -178.26697
   43    42 S   CT   _C14    43     1.44935   106.78705   -17.37890
   44    43 S   HC   _H33    44     1.09938   105.82730   141.29907
   45    39 S   CT   _C11    45     1.50040   123.21928   -70.45642
   46    45 S   HC   _H30    46     1.10298   104.85604    85.42144
   47    43 S   CT   _C16    64     1.55844   108.96391  -103.14762
   48    45 S   CT   _C15    47     1.53853   119.84436   -32.08296
   49    48 S   HC   _H34    48     1.09794   107.09106    54.52290
   50    47 S   CT   _C19    65     1.53584   115.21364    44.00233
   51    50 S   HC   _H41    66     1.09135   112.57110    59.23756
   52    50 S   HC   _H42    67     1.09618   111.46335   -61.71672
   53    50 S   HC   _H43    68     1.09539   111.74960  -179.35684
   54    48 S   CT   _C10    49     1.53163   115.34067   -65.34832
   55    54 S   HC   _H28    50     1.09937   107.46897   154.81108
   56    54 S   HC   _H29    51     1.09459   109.95145    41.94232
   57    48 S   OS   _O22    73     1.44888   107.07796   168.84098
   58    54 S   CT   _C13    52     1.53809   116.66817   -85.75152
   59    58 S   HC   _H32    53     1.10009   106.70665   -74.97926
   60    57 S   CO4  _C7_    74     1.36096   118.85760  -160.93095
   61    60 S   O    _O20    75     1.22276   126.72567    -2.03634
   62    58 S   CT   _C12    54     1.54243   114.23331    41.12646
   63    62 S   HC   _H31    55     1.10084   106.11239   -78.77429
   64    58 S   CT   _C18    69     1.53438   109.13013   172.53318
   65    64 S   HC   _H38    70     1.09228   112.32502   -69.03011
   66    64 S   HC   _H39    71     1.09427   111.44155   168.99525
   67    64 S   HC   _H40    72     1.09617   110.39323    50.76211
   68    60 S   CT   _C17    76     1.49823   109.37659   178.68642
   69    68 S   HC   _H35    77     1.09295   109.85778   -59.23914
   70    68 S   HC   _H36    78     1.09381   109.34995  -178.17040
   71    68 S   HC   _H37    79     1.09290   109.77690    62.67098
   72    62 S   CT   _C9_    56     1.53496   114.64003   166.39701
   73    72 S   HC   _H26    57     1.09467   112.20538    64.53018
   74    72 S   HC   _H27    58     1.09527   112.03789   -57.09294
   75    72 S   CT   _C8_    59     1.51851   103.84664  -174.86706
   76    75 S   HC   _H24    60     1.09377   111.54306   -83.33425
   77    75 S   HC   _H25    61     1.09212   111.88114   151.95193
   78    75 S   CO4  _C6_    62     1.50711   102.10422    32.85752
   79    78 S   O    _O19    63     1.22623   122.25627   167.64120
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  19   7  13   5  19  12
   6  10   4   3   2  13   6   5   7  12   7   5   4  13   6   4
   2   1   1   3   2   1   1   7   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    48  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    48    49    54    47    57  
   41    42    43    44    45    46    48    47  
   42    43    45  
   43    44    45    46    48    62    78    47    50  
   44    45    46    48    49    54    58    62    63    72    75    78    79    47    50    51    52    53    57  
   45    46    48    62    78    47    50  
   46    48    49    54    55    56    58    62    78    47    50    57    60  
   48    49    54    47    57  
   50    51    52    53    64    48    54    58    59    62    63    72    73    74    75    76    77    78    79  
   49    54    55    56    58    59    62    64    57    60    61    68  
   54    55    56    58    57    60  
   51    52    53    58    62    63    72    75    78    79  
   52    53    62    78  
   53    62    78  
   62    78  
   55    56    58    59    62    63    72    64    65    66    67    57    60  
   56    58    59    62    64    57  
   58    59    62    64    57  
   60    61    68    69    70    71    58  
   59    62    63    72    73    74    75    78    64    65    66    67  
   62    63    72    64    65    66    67  
   61    68    69    70    71  
   68    69    70    71  
   63    72    73    74    75    76    77    78    79    64    65    66    67  
   72    73    74    75    78    64  
   65    66    67    72  
   66    67  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    78    79  
   74    75    76    77    78  
   75    76    77    78  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    58   268.000  1.529
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    64   268.000  1.529
   62    63   340.000  1.090
   62    72   268.000  1.529
   62    47   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    47   317.000  1.522
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   57    60   214.000  1.327
   60    61   570.000  1.229
   60    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    48    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    48    58.35000  112.70000
   43    47    62    58.35000  112.70000
   43    47    78    63.00000  111.10000
   43    47    50    58.35000  112.70000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    54    58.35000  112.70000
   45    48    57    50.00000  109.50000
   48    45    46    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    58    58.35000  112.70000
   48    57    60    83.00000  116.90000
   54    48    49    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    62    58.35000  112.70000
   54    58    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    72    58.35000  112.70000
   58    62    47    58.35000  112.70000
   58    64    65    37.50000  110.70000
   58    64    66    37.50000  110.70000
   58    64    67    37.50000  110.70000
   62    58    59    37.50000  110.70000
   62    72    73    37.50000  110.70000
   62    72    74    37.50000  110.70000
   62    72    75    58.35000  112.70000
   62    47    78    63.00000  111.10000
   62    47    50    58.35000  112.70000
   72    62    63    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    80.00000  120.40000
   75    78    47    70.00000  116.00000
   77    75    76    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    35.00000  109.50000
   78    47    50    63.00000  111.10000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    62    63    37.50000  110.70000
   47    62    72    58.35000  112.70000
   47    78    79    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   64    58    59    37.50000  110.70000
   64    58    62    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   57    48    49    35.00000  109.50000
   57    48    54    50.00000  109.50000
   57    60    61    83.00000  123.40000
   57    60    68    81.00000  111.40000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   68    60    61    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    48   0.46850  1.0 1.0
   33    39    45    48   0.08550 -1.0 2.0
   33    39    45    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    54   0.34400  1.0 1.0
   39    45    48    54   0.09450 -1.0 2.0
   39    45    48    54   0.11100  1.0 3.0
   39    45    48    57   0.61850  1.0 1.0
   39    45    48    57  -0.22750 -1.0 2.0
   39    45    48    57   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    48   0.09850  1.0 1.0
   40    39    45    48   0.15250 -1.0 2.0
   40    39    45    48  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    48   0.62750  1.0 1.0
   42    43    45    48  -0.30950 -1.0 2.0
   42    43    45    48   0.27300  1.0 3.0
   42    43    47    62   0.62750  1.0 1.0
   42    43    47    62  -0.30950 -1.0 2.0
   42    43    47    62   0.27300  1.0 3.0
   42    43    47    78  -0.09450  1.0 1.0
   42    43    47    78  -1.12950 -1.0 2.0
   42    43    47    78   0.54000  1.0 3.0
   42    43    47    50   0.62750  1.0 1.0
   42    43    47    50  -0.30950 -1.0 2.0
   42    43    47    50   0.27300  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45    48    54   0.56750  1.0 1.0
   43    45    48    54  -0.07550 -1.0 2.0
   43    45    48    54   0.20000  1.0 3.0
   43    45    48    57   0.62750  1.0 1.0
   43    45    48    57  -0.30950 -1.0 2.0
   43    45    48    57   0.27300  1.0 3.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    52   0.15000  1.0 3.0
   43    47    50    53   0.15000  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    47    62   0.15000  1.0 3.0
   44    43    47    78  -0.11250  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    62   0.56750  1.0 1.0
   45    43    47    62  -0.07550 -1.0 2.0
   45    43    47    62   0.20000  1.0 3.0
   45    43    47    78  -0.95700  1.0 1.0
   45    43    47    78  -0.18200 -1.0 2.0
   45    43    47    78   0.29450  1.0 3.0
   45    43    47    50   0.56750  1.0 1.0
   45    43    47    50  -0.07550 -1.0 2.0
   45    43    47    50   0.20000  1.0 3.0
   45    48    54    55   0.15000  1.0 3.0
   45    48    54    56   0.15000  1.0 3.0
   45    48    54    58   0.56750  1.0 1.0
   45    48    54    58  -0.07550 -1.0 2.0
   45    48    54    58   0.20000  1.0 3.0
   45    48    57    60  -0.25900  1.0 1.0
   45    48    57    60  -0.47000 -1.0 2.0
   45    48    57    60   0.11750  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    54   0.15000  1.0 3.0
   46    45    48    57   0.23400  1.0 3.0
   48    54    58    59   0.15000  1.0 3.0
   48    54    58    62   0.56750  1.0 1.0
   48    54    58    62  -0.07550 -1.0 2.0
   48    54    58    62   0.20000  1.0 3.0
   48    54    58    64   0.56750  1.0 1.0
   48    54    58    64  -0.07550 -1.0 2.0
   48    54    58    64   0.20000  1.0 3.0
   48    57    60    61   3.00000 -1.0 2.0
   48    57    60    68   1.63150  1.0 1.0
   48    57    60    68   2.92000 -1.0 2.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    58   0.15000  1.0 3.0
   49    48    57    60   0.08050  1.0 3.0
   54    48    57    60  -0.25900  1.0 1.0
   54    48    57    60  -0.47000 -1.0 2.0
   54    48    57    60   0.11750  1.0 3.0
   54    58    62    63   0.15000  1.0 3.0
   54    58    62    72   0.56750  1.0 1.0
   54    58    62    72  -0.07550 -1.0 2.0
   54    58    62    72   0.20000  1.0 3.0
   54    58    62    47   0.56750  1.0 1.0
   54    58    62    47  -0.07550 -1.0 2.0
   54    58    62    47   0.20000  1.0 3.0
   54    58    64    65   0.15000  1.0 3.0
   54    58    64    66   0.15000  1.0 3.0
   54    58    64    67   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    62   0.15000  1.0 3.0
   55    54    58    64   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    62   0.15000  1.0 3.0
   56    54    58    64   0.15000  1.0 3.0
   58    62    72    73   0.15000  1.0 3.0
   58    62    72    74   0.15000  1.0 3.0
   58    62    72    75   0.56750  1.0 1.0
   58    62    72    75  -0.07550 -1.0 2.0
   58    62    72    75   0.20000  1.0 3.0
   58    62    47    43   0.56750  1.0 1.0
   58    62    47    43  -0.07550 -1.0 2.0
   58    62    47    43   0.20000  1.0 3.0
   58    62    47    78  -0.95700  1.0 1.0
   58    62    47    78  -0.18200 -1.0 2.0
   58    62    47    78   0.29450  1.0 3.0
   58    62    47    50   0.56750  1.0 1.0
   58    62    47    50  -0.07550 -1.0 2.0
   58    62    47    50   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    72   0.15000  1.0 3.0
   59    58    62    47   0.15000  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    66   0.15000  1.0 3.0
   59    58    64    67   0.15000  1.0 3.0
   62    58    64    65   0.15000  1.0 3.0
   62    58    64    66   0.15000  1.0 3.0
   62    58    64    67   0.15000  1.0 3.0
   62    72    75    76   0.15000  1.0 3.0
   62    72    75    77   0.15000  1.0 3.0
   62    72   -75    78  -0.95700  1.0 1.0
   62    72   -75    78  -0.18200 -1.0 2.0
   62    72   -75    78   0.29450  1.0 3.0
   62    47    50    51   0.15000  1.0 3.0
   62    47    50    52   0.15000  1.0 3.0
   62    47    50    53   0.15000  1.0 3.0
   63    62    72    73   0.15000  1.0 3.0
   63    62    72    74   0.15000  1.0 3.0
   63    62    72    75   0.15000  1.0 3.0
   63    62    47    43   0.15000  1.0 3.0
   63    62    47    78  -0.11250  1.0 3.0
   63    62    47    50   0.15000  1.0 3.0
   72    62    47    43   0.56750  1.0 1.0
   72    62    47    43  -0.07550 -1.0 2.0
   72    62    47    43   0.20000  1.0 3.0
   72    62   -47    78  -0.95700  1.0 1.0
   72    62   -47    78  -0.18200 -1.0 2.0
   72    62   -47    78   0.29450  1.0 3.0
   72    62    47    50   0.56750  1.0 1.0
   72    62    47    50  -0.07550 -1.0 2.0
   72    62    47    50   0.20000  1.0 3.0
   72    75    78    79   0.30150 -1.0 2.0
   72    75   -78    47   0.60050  1.0 1.0
   72    75   -78    47   0.05600 -1.0 2.0
   72    75   -78    47   0.26150  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78  -0.11250  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78  -0.11250  1.0 3.0
   75    78    47    43   0.60050  1.0 1.0
   75    78    47    43   0.05600 -1.0 2.0
   75    78    47    43   0.26150  1.0 3.0
   75    78   -47    62   0.60050  1.0 1.0
   75    78   -47    62   0.05600 -1.0 2.0
   75    78   -47    62   0.26150  1.0 3.0
   75    78    47    50   0.60050  1.0 1.0
   75    78    47    50   0.05600 -1.0 2.0
   75    78    47    50   0.26150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    47   0.00000  1.0 1.0
   77    75    78    79   0.00000  1.0 1.0
   77    75    78    47   0.00000  1.0 1.0
   78    47    50    51  -0.11250  1.0 3.0
   78    47    50    52  -0.11250  1.0 3.0
   78    47    50    53  -0.11250  1.0 3.0
   79    78    47    43   0.30150 -1.0 2.0
   79    78    47    62   0.30150 -1.0 2.0
   79    78    47    50   0.30150 -1.0 2.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    48   0.56750  1.0 1.0
   47    43    45    48  -0.07550 -1.0 2.0
   47    43    45    48   0.20000  1.0 3.0
   47    62    72    73   0.15000  1.0 3.0
   47    62    72    74   0.15000  1.0 3.0
   47    62   -72    75   0.56750  1.0 1.0
   47    62   -72    75  -0.07550 -1.0 2.0
   47    62   -72    75   0.20000  1.0 3.0
   64    58    62    63   0.15000  1.0 3.0
   64    58    62    72   0.56750  1.0 1.0
   64    58    62    72  -0.07550 -1.0 2.0
   64    58    62    72   0.20000  1.0 3.0
   64    58    62    47   0.56750  1.0 1.0
   64    58    62    47  -0.07550 -1.0 2.0
   64    58    62    47   0.20000  1.0 3.0
   57    48    54    55   0.23400  1.0 3.0
   57    48    54    56   0.23400  1.0 3.0
   57    48    54    58   0.62750  1.0 1.0
   57    48    54    58  -0.30950 -1.0 2.0
   57    48    54    58   0.27300  1.0 3.0
   57    60    68    69   0.00000  1.0 1.0
   57    60    68    70   0.00000  1.0 1.0
   57    60    68    71   0.00000  1.0 1.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    70   0.00000  1.0 1.0
   61    60    68    71   0.00000  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   75    47    78    79  10.50000 -1.0 2.0
   57    68    60    61  10.50000 -1.0 2.0
END
