* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    156    240     454
    1     0 S   NP   _N1_     1    28.82439    94.88567   -24.04842
    2     1 S   H    _HN1     2     1.02959    83.62167     4.42514
    3     1 S   H    _H1_     3     1.02837    24.82959   165.16439
    4     1 S   H    _H2_     4     1.02779   108.82511  -102.79111
    5     1 S   CT   _CA1     5     1.50118   128.63017   115.51021
    6     5 S   HC   _HA1     6     1.09575   105.23649    79.23506
    7     5 S   CO3  _C1_     7     1.53782   112.34694   -40.97704
    8     7 S   O2Z  _O11     8     1.26359   115.00353   -44.84998
    9     7 S   O2Z  _O12     9     1.26237   114.91628   134.30805
   10     5 S   CT   _CB1    10     1.53096   107.42403  -162.87368
   11    10 S   HC   HB11    11     1.09828   109.32574   -50.93791
   12    10 S   HC   HB12    12     1.09820   110.42352    65.59321
   13    10 S   CT   _CG1    13     1.53022   112.68954  -172.04243
   14    13 S   HC   HG11    14     1.09594   110.47314   -63.78984
   15    13 S   HC   HG12    15     1.09648   109.97784    55.44587
   16    13 S   C    _CD1    16     1.51788   112.25926   175.78077
   17    16 S   O    _OE1    17     1.22773   123.34229    -1.67585
   18    16 S   N    _N2_    18     1.38607   111.81089   178.34578
   19    18 S   H    _HN2    19     1.01599   119.19917     3.92446
   20    18 S   CT1  _CA2    20     1.45673   122.56665   178.38844
   21    20 S   HC   _HA2    21     1.09397   109.71854    18.27750
   22    20 S   C    _C2_    22     1.52657   105.19471   -98.61470
   23    22 S   O    _O2_    23     1.22944   122.43102   -81.73838
   24    20 S   CT   _CB2    32     1.53077   111.94699   141.45646
   25    24 S   HC   HB21    33     1.09629   110.43729    54.54230
   26    24 S   HC   HB22    34     1.09581   110.64551   172.38802
   27    22 S   N    _N3_    24     1.38536   112.67932    94.41568
   28    27 S   H    _HN3    25     1.01512   119.64909     1.99213
   29    24 S   S    _SG2    35     1.82922   113.67262   -65.27627
   30    27 S   CT   _CA3    26     1.45428   123.12982   177.31474
   31    30 S   HC   HA31    27     1.09523   109.14853    27.12983
   32    30 S   HC   HA32    28     1.09483   107.15245   144.34549
   33    29 S   CT   _C20    36     1.82897    99.70934   -65.67186
   34    33 S   HC   _H3_    37     1.09469   108.57077   -46.63379
   35    33 S   HC   _H4_    38     1.09086   105.58015    71.04425
   36    30 S   CO3  _C3_    29     1.53063   113.35968   -95.99029
   37    36 S   O2Z  _O31    30     1.26396   115.73757   -33.16849
   38    36 S   O2Z  _O32    31     1.26400   114.74030   147.63485
   39    33 S   CT   _C12    39     1.52862   112.66024  -169.82164
   40    39 S   HC   _H35    40     1.09733   110.44650   -52.83850
   41    39 S   CO4  _C5_    41     1.51268   111.33599    68.22585
   42    41 S   O    _O18    42     1.22158   125.84473   -75.78519
   43    41 S   OS   _O20    43     1.36352   110.45657   103.55542
   44    43 S   CT   _C14    44     1.43622   110.76255     1.51711
   45    44 S   HC   _H37    45     1.09393   107.39589   -99.91674
   46    39 S   CT   _C13    46     1.54450   116.92402  -176.84551
   47    46 S   HC   _H36    47     1.09699   103.67950   158.23809
   48    44 S   C3T  _C15    63     1.49411   108.16037   137.87528
   49    48 S   HC   _H38    64     1.08292   112.80182   -75.29613
   50    46 S   CT   _C16    48     1.55106   118.01513    39.73684
   51    50 S   HC   _H39    49     1.09793   107.59852    54.48802
   52    78 S   O3T  _O21    65     1.44042   115.27540  -162.72749
   53    50 S   CT   _C8_    50     1.55452   116.62692   177.65974
   54    53 S   HC   _H28    51     1.09902   107.89260  -171.70168
   55    53 S   HC   _H29    52     1.09127   106.55768    77.93773
   56    50 S   OS   _O23    76     1.45402   108.32284   -63.60514
   57    53 S   CM   _C4_    53     1.51343   121.98443   -47.84036
   58    56 S   CO4  _C7_    77     1.36410   117.95094   152.15053
   59    58 S   O    _O19    78     1.22288   126.30353    -0.70693
   60    57 S   CT   _C11    54     1.52615   117.50688   159.89672
   61    60 S   HC   _H34    55     1.09931   109.96126  -172.61494
   62    57 S   CM   _C6_    73     1.34442   123.17425   -25.03828
   63    62 S   HC   _H26    74     1.08574   121.32533  -177.70766
   64    62 S   HC   _H27    75     1.08374   122.33917    -0.21489
   65    58 S   CT   _C18    79     1.49849   109.52202   178.14797
   66    65 S   HC   _H40    80     1.09247   109.67976   -73.13149
   67    65 S   HC   _H41    81     1.09365   109.33341   167.07949
   68    65 S   HC   _H42    82     1.09316   110.06895    48.52631
   69    60 S   CT   _C9_    56     1.54616   118.76566   -49.91159
   70    69 S   HC   _H30    57     1.10003   106.10074  -179.32247
   71    69 S   HC   _H31    58     1.09644   110.24381    68.85936
   72    60 S   OS   _O24    70     1.44196   107.60445    69.59102
   73    69 S   CT   _C10    59     1.53328   117.13331   -59.88971
   74    73 S   HC   _H32    60     1.09755   108.40658  -152.23522
   75    73 S   HC   _H33    61     1.09693   109.83747   -36.91252
   76    72 S   OH   _O22    71     1.45674   106.31463    85.62242
   77    76 S   HO   _H48    72     0.97288    95.92451  -102.21258
   78    73 S   C3T  _C17    62     1.50709   113.26731    88.45385
   79    78 S   CT   _C19    66     1.50394   117.34633    64.91500
   80    79 S   HC   _H43    67     1.09531   112.08265   159.99870
   81    79 S   HC   _H44    68     1.09526   110.35273    40.87483
   82    79 S   HC   _H45    69     1.09254   111.57237   -79.14501
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5  12
   4  11   6   9  12   5   4   7  11   5   4  14   7   4   1   1
   3   2   1   1   9   6   5   3   7   3   2   1   1   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    41    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    50  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    50    51    53    48    56  
   41    42    43    44    46    47    50  
   42    43    44    45    46    47    50    48  
   43    44    46  
   44    45    46    47    50    78    48    49    52  
   45    46    47    50    51    53    73    78    48    49    52    79    56  
   46    47    50    78    48    49    52  
   47    50    51    53    54    55    57    78    48    49    52    56    58  
   50    51    53    48    56  
   49    52    79    80    81    82    50    69    73    74    75    78  
   52    79    73    78  
   51    53    54    55    57    60    62    56    58    59    65  
   53    54    55    57    56    58  
   79    80    81    82    69    73    74    75    78  
   54    55    57    60    61    69    72    62    63    64    56    58  
   55    57    60    62    56  
   57    60    62    56  
   58    59    65    66    67    68    57  
   60    61    69    70    71    73    72    76    62    63    64  
   59    65    66    67    68  
   65    66    67    68  
   61    69    70    71    73    74    75    78    72    76    77    62    63    64  
   69    70    71    73    72    76    62  
   63    64    69    72  
   64  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    73    74    75    78    79    72    76  
   71    73    74    75    78    72  
   73    74    75    78    72  
   76    77    73  
   74    75    78    79    80    81    82  
   75    78    79  
   78    79  
   77  
    0  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    46   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   275.000  1.510
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    56   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   317.000  1.510
   57    60   317.000  1.510
   57    62   549.000  1.340
   60    61   340.000  1.090
   60    69   268.000  1.529
   60    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   275.000  1.510
   78    48   260.000  1.509
   78    52   335.000  1.432
   78    79   275.000  1.510
   48    49   340.000  1.088
   48    52   335.000  1.432
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    76   295.000  1.451
   76    77   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    46    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    50    58.35000  112.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    78    60.00000  120.94000
   44    48    49    40.00000  115.04500
   44    48    52    80.00000  116.47100
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    58.35000  112.70000
   46    50    56    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    57    70.00000  112.02700
   50    56    58    83.00000  116.90000
   53    50    51    37.50000  110.70000
   53    57    60    65.00000  117.92700
   53    57    62    70.00000  124.00000
   55    53    54    33.00000  107.80000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   57    60    61    35.00000  109.50000
   57    60    69    70.00000  112.02700
   57    60    72    85.00000  110.90400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   60    69    70    37.50000  110.70000
   60    69    71    37.50000  110.70000
   60    69    73    58.35000  112.70000
   60    72    76   125.00000  106.88800
   69    60    61    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    78    70.00000  112.37300
   71    69    70    33.00000  107.80000
   73    69    70    37.50000  110.70000
   73    69    71    37.50000  110.70000
   73    78    48    60.00000  120.94000
   73    78    52    80.00000  116.47100
   73    78    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   78    73    74    45.00000  109.38400
   78    73    75    45.00000  109.38400
   78    48    49    37.50000  117.20000
   78    48    52    15.00000   60.43100
   78    52    48    15.00000   59.14900
   78    79    80    45.00000  109.38400
   78    79    81    45.00000  109.38400
   78    79    82    45.00000  109.38400
   48    44    45    45.00000  109.38400
   48    44    46    70.00000  112.37300
   52    78    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   79    78    48    60.00000  120.94000
   79    78    52    80.00000  116.47100
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    60    61    35.00000  109.50000
   72    60    69    50.00000  109.50000
   72    76    77    90.00000  100.86400
   62    57    60    70.00000  124.00000
   64    62    63    35.00000  117.00000
   56    50    51    35.00000  109.50000
   56    50    53    50.00000  109.50000
   56    58    59    83.00000  123.40000
   56    58    65    81.00000  111.40000
   58    65    66    35.00000  109.50000
   58    65    67    35.00000  109.50000
   58    65    68    35.00000  109.50000
   65    58    59    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    50   0.56750  1.0 1.0
   33    39    46    50  -0.07550 -1.0 2.0
   33    39    46    50   0.20000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    46   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    46   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    53   0.56750  1.0 1.0
   39    46    50    53  -0.07550 -1.0 2.0
   39    46    50    53   0.20000  1.0 3.0
   39    46    50    56   0.62750  1.0 1.0
   39    46    50    56  -0.30950 -1.0 2.0
   39    46    50    56   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    50   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    50  -0.95700  1.0 1.0
   41    39    46    50  -0.18200 -1.0 2.0
   41    39    46    50   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.62750  1.0 1.0
   43    44    46    50  -0.30950 -1.0 2.0
   43    44    46    50   0.27300  1.0 3.0
   43    44    48    78  -0.26800  1.0 1.0
   43    44    48    78   0.69150 -1.0 2.0
   43    44    48    78  -0.48750  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   43    44    48    52   1.11900  1.0 1.0
   43    44    48    52  -1.16350 -1.0 2.0
   43    44    48    52  -0.34150  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    53   0.56750  1.0 1.0
   44    46    50    53  -0.07550 -1.0 2.0
   44    46    50    53   0.20000  1.0 3.0
   44    46    50    56   0.62750  1.0 1.0
   44    46    50    56  -0.30950 -1.0 2.0
   44    46    50    56   0.27300  1.0 3.0
   44    48   -52    78   0.06250  1.0 1.0
   44    48   -52    78  -0.01100 -1.0 2.0
   44    48   -52    78   0.28050  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    78   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    78   0.07850  1.0 1.0
   46    44    48    78  -0.03950 -1.0 2.0
   46    44    48    78   0.67350  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.02550  1.0 1.0
   46    44    48    52  -0.02600 -1.0 2.0
   46    44    48    52   1.20400  1.0 3.0
   46    50    53    54   0.15000  1.0 3.0
   46    50    53    55   0.15000  1.0 3.0
   46    50    53    57   0.34400  1.0 1.0
   46    50    53    57   0.09450 -1.0 2.0
   46    50    53    57   0.11100  1.0 3.0
   46    50    56    58  -0.25900  1.0 1.0
   46    50    56    58  -0.47000 -1.0 2.0
   46    50    56    58   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    56   0.23400  1.0 3.0
   50    53    57    60   0.46850  1.0 1.0
   50    53    57    60   0.08550 -1.0 2.0
   50    53    57    60   0.09800  1.0 3.0
   50    53    57    62   0.09850  1.0 1.0
   50    53    57    62   0.15250 -1.0 2.0
   50    53    57    62  -0.50650  1.0 3.0
   50    56    58    59   3.00000 -1.0 2.0
   50    56    58    65   1.63150  1.0 1.0
   50    56    58    65   2.92000 -1.0 2.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    57   0.15000  1.0 3.0
   51    50    56    58   0.08050  1.0 3.0
   53    50    56    58  -0.25900  1.0 1.0
   53    50    56    58  -0.47000 -1.0 2.0
   53    50    56    58   0.11750  1.0 3.0
   53    57    60    61   0.34800  1.0 3.0
   53    57    60    69   0.46850  1.0 1.0
   53    57    60    69   0.08550 -1.0 2.0
   53    57    60    69   0.09800  1.0 3.0
   53    57    60    72   0.09700  1.0 1.0
   53    57    60    72   0.15600 -1.0 2.0
   53    57    60    72  -0.50800  1.0 3.0
   53    57    62    63   7.00000 -1.0 2.0
   53    57    62    64   7.00000 -1.0 2.0
   54    53    57    60   0.34800  1.0 3.0
   54    53    57    62   0.00000  1.0 1.0
   55    53    57    60   0.34800  1.0 3.0
   55    53    57    62   0.00000  1.0 1.0
   57    60    69    70   0.15000  1.0 3.0
   57    60    69    71   0.15000  1.0 3.0
   57    60    69    73   0.34400  1.0 1.0
   57    60    69    73   0.09450 -1.0 2.0
   57    60    69    73   0.11100  1.0 3.0
   57    60    72    76   0.37500  1.0 3.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   60    69    73    74   0.15000  1.0 3.0
   60    69    73    75   0.15000  1.0 3.0
   60    69    73    78   0.47050  1.0 1.0
   60    69    73    78   0.03900 -1.0 2.0
   60    69    73    78   0.20100  1.0 3.0
   60    72    76    77  -2.50000 -1.0 2.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    71   0.15000  1.0 3.0
   61    60    69    73   0.15000  1.0 3.0
   61    60    72    76   0.37500  1.0 3.0
   69    60    72    76   0.37500  1.0 3.0
   69    73    78    48   0.07850  1.0 1.0
   69    73    78    48  -0.03950 -1.0 2.0
   69    73    78    48   0.67350  1.0 3.0
   69    73    78    52   0.02550  1.0 1.0
   69    73    78    52  -0.02600 -1.0 2.0
   69    73    78    52   1.20400  1.0 3.0
   69    73    78    79   0.56750  1.0 1.0
   69    73    78    79  -0.07550 -1.0 2.0
   69    73    78    79   0.20000  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    75   0.15000  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   71    69    73    74   0.15000  1.0 3.0
   71    69    73    75   0.15000  1.0 3.0
   71    69    73    78   0.15000  1.0 3.0
   73    78    48    44   0.56750  1.0 1.0
   73    78    48    44  -0.07550 -1.0 2.0
   73    78    48    44   0.20000  1.0 3.0
   73    78    48    49   0.15000  1.0 3.0
   73    78   -48    52   0.02550  1.0 1.0
   73    78   -48    52  -0.02600 -1.0 2.0
   73    78   -48    52   1.20400  1.0 3.0
   73    78   -52    48   0.06250  1.0 1.0
   73    78   -52    48  -0.01100 -1.0 2.0
   73    78   -52    48   0.28050  1.0 3.0
   73    78    79    80   0.15000  1.0 3.0
   73    78    79    81   0.15000  1.0 3.0
   73    78    79    82   0.15000  1.0 3.0
   74    73    78    48   0.15000  1.0 3.0
   74    73    78    52   0.23400  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   75    73    78    48   0.15000  1.0 3.0
   75    73    78    52   0.23400  1.0 3.0
   75    73    78    79   0.15000  1.0 3.0
   48    44    46    39   0.47050  1.0 1.0
   48    44    46    39   0.03900 -1.0 2.0
   48    44    46    39   0.20100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.47050  1.0 1.0
   48    44    46    50   0.03900 -1.0 2.0
   48    44    46    50   0.20100  1.0 3.0
   48    78    79    80   0.15000  1.0 3.0
   48    78    79    81   0.15000  1.0 3.0
   48    78    79    82   0.15000  1.0 3.0
   49    48   -52    78   0.36800  1.0 3.0
   52    78   -48    44   0.02550  1.0 1.0
   52    78   -48    44  -0.02600 -1.0 2.0
   52    78   -48    44   1.20400  1.0 3.0
   52    78   -48    49   0.23400  1.0 3.0
   52    78    79    80   0.23400  1.0 3.0
   52    78    79    81   0.23400  1.0 3.0
   52    78    79    82   0.23400  1.0 3.0
   79    78    48    44   0.56750  1.0 1.0
   79    78    48    44  -0.07550 -1.0 2.0
   79    78    48    44   0.20000  1.0 3.0
   79    78    48    49   0.15000  1.0 3.0
   79    78   -48    52   0.02550  1.0 1.0
   79    78   -48    52  -0.02600 -1.0 2.0
   79    78   -48    52   1.20400  1.0 3.0
   79    78   -52    48   0.06250  1.0 1.0
   79    78   -52    48  -0.01100 -1.0 2.0
   79    78   -52    48   0.28050  1.0 3.0
   72    60    69    70   0.23400  1.0 3.0
   72    60    69    71   0.23400  1.0 3.0
   72    60    69    73   0.62750  1.0 1.0
   72    60    69    73  -0.30950 -1.0 2.0
   72    60    69    73   0.27300  1.0 3.0
   62    57    60    61   0.00000  1.0 1.0
   62    57    60    69   0.09850  1.0 1.0
   62    57    60    69   0.15250 -1.0 2.0
   62    57    60    69  -0.50650  1.0 3.0
   62    57    60    72   0.39000  1.0 1.0
   62    57    60    72  -0.05800 -1.0 2.0
   62    57    60    72  -0.55150  1.0 3.0
   56    50    53    54   0.23400  1.0 3.0
   56    50    53    55   0.23400  1.0 3.0
   56    50    53    57   0.61850  1.0 1.0
   56    50    53    57  -0.22750 -1.0 2.0
   56    50    53    57   0.15300  1.0 3.0
   56    58    65    66   0.00000  1.0 1.0
   56    58    65    67   0.00000  1.0 1.0
   56    58    65    68   0.00000  1.0 1.0
   59    58    65    66   0.00000  1.0 1.0
   59    58    65    67   0.00000  1.0 1.0
   59    58    65    68   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
   39    43    41    42  10.50000 -1.0 2.0
   53    60    57    62   1.10000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
   56    65    58    59  10.50000 -1.0 2.0
END
