* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    159    245     468
    1     0 S   NP   _N1_     1    27.58777    94.97108   -21.10071
    2     1 S   H    _HN1     2     1.02954    84.19100    -5.79900
    3     1 S   H    _H1_     3     1.02833    36.94817   123.01828
    4     1 S   H    _H2_     4     1.02775    88.79927  -114.36549
    5     1 S   CT   _CA1     5     1.50136   147.41560   113.63337
    6     5 S   HC   _HA1     6     1.09573   105.22377    65.31035
    7     5 S   CO3  _C1_     7     1.53824   112.22751   -54.90295
    8     7 S   O2Z  _O11     8     1.26376   114.99099   -46.09030
    9     7 S   O2Z  _O12     9     1.26222   114.96307   132.84291
   10     5 S   CT   _CB1    10     1.53094   107.39804  -176.77002
   11    10 S   HC   HB11    11     1.09826   109.47202   -49.83309
   12    10 S   HC   HB12    12     1.09812   110.42156    66.79227
   13    10 S   CT   _CG1    13     1.52970   112.54508  -170.82300
   14    13 S   HC   HG11    14     1.09580   110.45676   -62.94069
   15    13 S   HC   HG12    15     1.09651   109.89001    56.22616
   16    13 S   C    _CD1    16     1.51838   112.33419   176.73529
   17    16 S   O    _OE1    17     1.22757   123.29693     1.49998
   18    16 S   N    _N2_    18     1.38492   111.70072  -178.82098
   19    18 S   H    _HN2    19     1.01746   118.79079     5.06400
   20    18 S   CT1  _CA2    20     1.45748   123.06915   179.20598
   21    20 S   HC   _HA2    21     1.09735   108.79531    23.03761
   22    20 S   C    _C2_    22     1.52895   107.22694   -93.99046
   23    22 S   O    _O2_    23     1.22959   123.13224   -26.03054
   24    20 S   CT   _CB2    32     1.53194   112.34613   145.88683
   25    24 S   HC   HB21    33     1.09605   110.45111    56.61835
   26    24 S   HC   HB22    34     1.09534   110.21156   175.70381
   27    22 S   N    _N3_    24     1.38514   112.49948   156.68771
   28    27 S   H    _HN3    25     1.01648   120.35214    -2.37191
   29    24 S   S    _SG2    35     1.82315   111.24703   -64.01844
   30    27 S   CT   _CA3    26     1.45354   122.51985   178.55694
   31    30 S   HC   HA31    27     1.09566   107.86638   -54.77246
   32    30 S   HC   HA32    28     1.09560   107.57341    61.58405
   33    29 S   CT   _C22    36     1.82167    98.84029  -175.16839
   34    33 S   HC   _H3_    37     1.09567   109.06169    71.32183
   35    33 S   HC   _H4_    38     1.09384   108.87216   -44.37902
   36    30 S   CO3  _C3_    29     1.52897   114.27767  -176.69110
   37    36 S   O2Z  _O31    30     1.26344   116.04608     0.51662
   38    36 S   O2Z  _O32    31     1.26433   114.42281  -179.53438
   39    33 S   CM   _C9_    39     1.51938   110.23455  -167.92770
   40    39 S   CMA  _C10    40     1.36617   123.49542   102.63698
   41    40 S   OM   _O20    41     1.26884   125.03344   178.86530
   42    39 S   CT   _C20    82     1.51787   113.40981   -79.39972
   43    42 S   HC   _H42    83     1.09542   109.95224   -55.91837
   44    42 S   HC   _H43    84     1.09458   110.59935    63.75337
   45    42 S   HC   _H44    85     1.09394   113.60916  -175.75356
   46    40 S   OS   _O26    42     1.41730   111.11196    -0.23985
   47    46 S   CT   _C16    43     1.44574   118.52935  -156.76805
   48    47 S   HC   _H38    44     1.09606   110.30936    23.57758
   49    47 S   CT   _C12    45     1.54273   107.06984   -95.50266
   50    49 S   HC   _H33    46     1.09675   107.22750   -52.74588
   51    49 S   HC   _H34    47     1.09749   109.29875    59.68045
   52    47 S   CT   _C14    60     1.55362   107.52504   140.84657
   53    52 S   HC   _H36    61     1.09307   111.35827  -177.74189
   54    49 S   CT   _C18    48     1.54488   115.98700  -177.28084
   55    52 S   CM   _C6_    62     1.50367   114.11665   -60.75556
   56    54 S   CT   _C15    49     1.53289   111.13918   171.69887
   57    56 S   HC   _H37    50     1.09441   113.05217    41.97164
   58    55 S   CO4  _C7_    63     1.47214   108.97189   145.38368
   59    58 S   O    _O21    64     1.21734   127.38307   171.17521
   60    55 S   CM   _C8_    66     1.33675   130.23995   -34.69578
   61    60 S   HC   _H29    67     1.08435   121.42063    -0.06256
   62    60 S   HC   _H30    68     1.08534   121.74861   179.94766
   63    54 S   CT   _C21    78     1.52918   111.62283   -60.74226
   64    63 S   HC   _H45    79     1.09573   111.39280   176.53598
   65    63 S   HC   _H46    80     1.09474   111.55507    59.59379
   66    63 S   HC   _H47    81     1.09445   111.35747   -62.06682
   67    56 S   CT   _C11    51     1.51628   102.42245   -80.15358
   68    67 S   HC   _H31    52     1.09664   109.16391    87.46828
   69    67 S   HC   _H32    53     1.09567   112.72559  -152.51771
   70    84 S   OS   _O22    65     1.45473   104.76115  -132.65064
   71    56 S   OH   _O24    76     1.42496   111.40989   163.59370
   72    71 S   HO   _H50    77     0.97233   107.58035   175.75661
   73    67 S   CO   _C17    54     1.53937   103.36292   -31.06529
   74    73 S   CM   _C5_    55     1.52410   111.41327   140.20134
   75    54 S   OS   _O23    73     1.43336   107.79548    58.04109
   76    73 S   OH   _O25    74     1.42957   107.94434   -98.93025
   77    76 S   HO   _H51    75     0.97189   107.22690  -166.82797
   78    74 S   CM   _C4_    56     1.35171   130.48280  -106.90569
   79    78 S   HC   _H28    57     1.09578   113.36207   177.65331
   80    74 S   CT   _C19    69     1.52450   112.72788    70.81072
   81    80 S   HC   _H39    70     1.09474   110.67269   -54.29853
   82    80 S   HC   _H40    71     1.09540   112.99425  -174.01116
   83    80 S   HC   _H41    72     1.09476   110.55077    66.08917
   84    78 S   CT   _C13    58     1.51205   139.33623    -0.65790
   85    84 S   HC   _H35    59     1.09880   105.31755   116.92894
  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   8  10   3   4   2   1   1  10  17   8
  17   6   5  14   7  15   9  14   8   8   3   4   1   1   7   3
   2   1  11   6   5   5   3   1  11  11   4   3   1   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    84    52    53    55  
   48    49    50    51    54    56    78    84    85    52    53    55    58    70    60    75    63  
   49    50    51    54    84    52    53    55  
   50    51    54    56    57    67    73    84    52    53    55    75    71    63    64    65    66  
   51    54    56    52    75    63  
   54    56    52    75    63  
   53    55    58    59    70    60    61    62    54    74    78    79    84    85  
   55    58    70    60    78    84    85  
   56    57    67    68    69    73    74    75    76    71    72    63    64    65    66  
   58    59    70    60    61    62    78    84    85  
   57    67    68    69    73    74    75    76    71    72    63    64    65    66  
   67    68    69    73    75    71    72    63  
   59    70    60    61    62    78    84    85  
   70    60    84  
   61    62    70    84  
   62  
    0  
   64    65    66    67    71    73    75  
   65    66    75  
   66    75  
   75  
   68    69    73    74    78    80    75    76    77    71    72  
   69    73    74    75    76    71  
   73    74    75    76    71  
   74    78    79    84    85  
   72    73    75  
    0  
   74    78    79    84    80    81    82    83    75    76    77  
   78    79    84    85    80    81    82    83    75    76    77  
   76    77    78    80  
   77    78    80  
    0  
   79    84    85    80    81    82    83  
   84    85    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   85   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    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    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    56   268.000  1.529
   54    75   320.000  1.410
   54    63   268.000  1.529
   56    57   340.000  1.090
   56    67   268.000  1.529
   56    71   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   250.000  1.527
   73    74   317.000  1.510
   73    75   320.000  1.380
   73    76   380.000  1.407
   74    78   549.000  1.340
   74    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    52   268.000  1.529
   84    70   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    70   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   76    77   553.000  0.945
   71    72   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    42    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    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   47    52    84    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    58.35000  112.70000
   49    54    75    50.00000  109.50000
   49    54    63    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    67    58.35000  112.70000
   54    56    71    50.00000  109.50000
   54    75    73    60.00000  109.50000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    67    68    37.50000  110.70000
   56    67    69    37.50000  110.70000
   56    67    73    75.00000  109.43000
   56    71    72    55.00000  108.50000
   67    56    57    37.50000  110.70000
   67    73    74    70.00000  112.02700
   67    73    75    90.00000  108.56700
   67    73    76    90.00000  110.19100
   69    67    68    33.00000  107.80000
   73    67    68    45.00000  108.72000
   73    67    69    45.00000  108.72000
   73    74    78    70.00000  124.00000
   73    74    80    65.00000  117.92700
   73    76    77    70.00000  107.92000
   74    78    79    35.00000  120.00000
   74    78    84    70.00000  124.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    52    70.00000  112.02700
   78    84    70    85.00000  110.90400
   84    78    79    35.00000  117.00000
   84    52    53    37.50000  110.70000
   84    52    55    70.00000  112.02700
   84    70    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    84    85    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    70    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   70    84    85    35.00000  109.50000
   70    84    52    50.00000  109.50000
   70    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   80    74    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    54    56    50.00000  109.50000
   75    73    74    85.00000  110.90400
   76    73    74    90.00000  110.39200
   76    73    75   110.00000  112.08000
   71    56    57    35.00000  109.50000
   71    56    67    50.00000  109.50000
   63    54    56    58.35000  112.70000
   63    54    75    50.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.62750  1.0 1.0
   46    47    49    54  -0.30950 -1.0 2.0
   46    47    49    54   0.27300  1.0 3.0
   46    47    52    84   0.62750  1.0 1.0
   46    47    52    84  -0.30950 -1.0 2.0
   46    47    52    84   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.56750  1.0 1.0
   47    49    54    56  -0.07550 -1.0 2.0
   47    49    54    56   0.20000  1.0 3.0
   47    49    54    75   0.62750  1.0 1.0
   47    49    54    75  -0.30950 -1.0 2.0
   47    49    54    75   0.27300  1.0 3.0
   47    49    54    63   0.56750  1.0 1.0
   47    49    54    63  -0.07550 -1.0 2.0
   47    49    54    63   0.20000  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    84   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    84   0.56750  1.0 1.0
   49    47    52    84  -0.07550 -1.0 2.0
   49    47    52    84   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   0.15000  1.0 3.0
   49    54    56    67   0.56750  1.0 1.0
   49    54    56    67  -0.07550 -1.0 2.0
   49    54    56    67   0.20000  1.0 3.0
   49    54    56    71   0.86500  1.0 1.0
   49    54    56    71  -0.17500 -1.0 2.0
   49    54    56    71   0.20800  1.0 3.0
   49    54    75    73   0.06250  1.0 1.0
   49    54    75    73  -0.01100 -1.0 2.0
   49    54    75    73   0.28050  1.0 3.0
   49    54    63    64   0.15000  1.0 3.0
   49    54    63    65   0.15000  1.0 3.0
   49    54    63    66   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    75   0.23400  1.0 3.0
   50    49    54    63   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    75   0.23400  1.0 3.0
   51    49    54    63   0.15000  1.0 3.0
   54    56    67    68   0.15000  1.0 3.0
   54    56    67    69   0.15000  1.0 3.0
   54    56   -67    73   3.97050  1.0 1.0
   54    56    71    72  -0.11600  1.0 1.0
   54    56    71    72  -0.09450 -1.0 2.0
   54    56    71    72   0.21250  1.0 3.0
   56    54   -75    73   0.06250  1.0 1.0
   56    54   -75    73  -0.01100 -1.0 2.0
   56    54   -75    73   0.28050  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
   56    67    73    74   0.34400  1.0 1.0
   56    67    73    74   0.09450 -1.0 2.0
   56    67    73    74   0.11100  1.0 3.0
   56    67   -73    75   0.62750  1.0 1.0
   56    67   -73    75  -0.30950 -1.0 2.0
   56    67   -73    75   0.27300  1.0 3.0
   56    67    73    76   0.86500  1.0 1.0
   56    67    73    76  -0.17500 -1.0 2.0
   56    67    73    76   0.20800  1.0 3.0
   57    56    67    68   0.15000  1.0 3.0
   57    56    67    69   0.15000  1.0 3.0
   57    56    67    73   0.15000  1.0 3.0
   57    56    71    72   0.19450  1.0 3.0
   67    56    71    72  -0.11600  1.0 1.0
   67    56    71    72  -0.09450 -1.0 2.0
   67    56    71    72   0.21250  1.0 3.0
   67    73    74    78   0.09850  1.0 1.0
   67    73    74    78   0.15250 -1.0 2.0
   67    73    74    78  -0.50650  1.0 3.0
   67    73    74    80   0.46850  1.0 1.0
   67    73    74    80   0.08550 -1.0 2.0
   67    73    74    80   0.09800  1.0 3.0
   67    73   -75    54   0.06250  1.0 1.0
   67    73   -75    54  -0.01100 -1.0 2.0
   67    73   -75    54   0.28050  1.0 3.0
   67    73    76    77  -0.11600  1.0 1.0
   67    73    76    77  -0.09450 -1.0 2.0
   67    73    76    77   0.21250  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.23400  1.0 3.0
   68    67    73    76   0.23400  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.23400  1.0 3.0
   69    67    73    76   0.23400  1.0 3.0
   73    74    78    79   7.00000 -1.0 2.0
   73    74    78    84   7.00000 -1.0 2.0
   73    74    80    81   0.34800  1.0 3.0
   73    74    80    82   0.34800  1.0 3.0
   73    74    80    83   0.34800  1.0 3.0
   74    73    75    54  -0.77900  1.0 1.0
   74    73    75    54  -0.36900 -1.0 2.0
   74    73    75    54   0.40400  1.0 3.0
   74    73    76    77  -0.07800  1.0 1.0
   74    73    76    77  -0.21500 -1.0 2.0
   74    73    76    77  -0.03150  1.0 3.0
   74    78    84    85   0.00000  1.0 1.0
   74    78    84    52   0.09850  1.0 1.0
   74    78    84    52   0.15250 -1.0 2.0
   74    78    84    52  -0.50650  1.0 3.0
   74    78    84    70   0.39000  1.0 1.0
   74    78    84    70  -0.05800 -1.0 2.0
   74    78    84    70  -0.55150  1.0 3.0
   78    74    80    81   0.00000  1.0 1.0
   78    74    80    82   0.00000  1.0 1.0
   78    74    80    83   0.00000  1.0 1.0
   78    84    52    47   0.34400  1.0 1.0
   78    84    52    47   0.09450 -1.0 2.0
   78    84    52    47   0.11100  1.0 3.0
   78    84    52    53   0.15000  1.0 3.0
   78    84    52    55   0.31000  1.0 1.0
   78    84    52    55   0.14700 -1.0 2.0
   78    84    52    55   0.07550  1.0 3.0
   78    84    70    58  -0.82050  1.0 1.0
   78    84    70    58   0.00600 -1.0 2.0
   78    84    70    58   0.04400  1.0 3.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    52   0.00000  1.0 1.0
   79    78    84    70   0.00000  1.0 1.0
   84    52   -55    58   0.09700  1.0 1.0
   84    52   -55    58   0.15600 -1.0 2.0
   84    52   -55    58  -0.50800  1.0 3.0
   84    52    55    60   0.09850  1.0 1.0
   84    52    55    60   0.15250 -1.0 2.0
   84    52    55    60  -0.50650  1.0 3.0
   85    84    52    47   0.15000  1.0 3.0
   85    84    52    53   0.15000  1.0 3.0
   85    84    52    55   0.15000  1.0 3.0
   85    84    70    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.56750  1.0 1.0
   52    47    49    54  -0.07550 -1.0 2.0
   52    47    49    54   0.20000  1.0 3.0
   52    84   -70    58  -0.25900  1.0 1.0
   52    84   -70    58  -0.47000 -1.0 2.0
   52    84   -70    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    70  -0.15000  1.0 1.0
   52    55   -58    70   0.89550 -1.0 2.0
   52    55   -58    70  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -70    84   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    70    84   3.00000 -1.0 2.0
   70    84    52    47   0.62750  1.0 1.0
   70    84    52    47  -0.30950 -1.0 2.0
   70    84    52    47   0.27300  1.0 3.0
   70    84    52    53   0.23400  1.0 3.0
   70    84   -52    55   0.61850  1.0 1.0
   70    84   -52    55  -0.22750 -1.0 2.0
   70    84   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    70  -0.56150  1.0 1.0
   60    55    58    70   2.19150 -1.0 2.0
   80    74    78    79   7.00000 -1.0 2.0
   80    74    78    84   7.00000 -1.0 2.0
   75    54    56    57   0.23400  1.0 3.0
   75    54   -56    67   0.62750  1.0 1.0
   75    54   -56    67  -0.30950 -1.0 2.0
   75    54   -56    67   0.27300  1.0 3.0
   75    54    56    71   3.69350  1.0 1.0
   75    54    56    71  -1.82950 -1.0 2.0
   75    54    63    64   0.23400  1.0 3.0
   75    54    63    65   0.23400  1.0 3.0
   75    54    63    66   0.23400  1.0 3.0
   75    73    74    78   0.39000  1.0 1.0
   75    73    74    78  -0.05800 -1.0 2.0
   75    73    74    78  -0.55150  1.0 3.0
   75    73    74    80   0.09700  1.0 1.0
   75    73    74    80   0.15600 -1.0 2.0
   75    73    74    80  -0.50800  1.0 3.0
   75    73    76    77  -0.50000  1.0 1.0
   75    73    76    77  -0.73950 -1.0 2.0
   75    73    76    77   0.17150  1.0 3.0
   76    73    74    78   0.67800  1.0 1.0
   76    73    74    78   0.47050 -1.0 2.0
   76    73    74    78  -0.62500  1.0 3.0
   76    73    74    80   0.18000  1.0 1.0
   76    73    74    80   0.16450 -1.0 2.0
   76    73    74    80   0.04450  1.0 3.0
   76    73    75    54  -0.70900  1.0 1.0
   76    73    75    54  -1.18000 -1.0 2.0
   76    73    75    54   0.91650  1.0 3.0
   71    56    67    68   0.23400  1.0 3.0
   71    56    67    69   0.23400  1.0 3.0
   71    56    67    73   0.86500  1.0 1.0
   71    56    67    73  -0.17500 -1.0 2.0
   71    56    67    73   0.20800  1.0 3.0
   63    54    56    57   0.15000  1.0 3.0
   63    54    56    67   0.56750  1.0 1.0
   63    54    56    67  -0.07550 -1.0 2.0
   63    54    56    67   0.20000  1.0 3.0
   63    54    56    71   0.86500  1.0 1.0
   63    54    56    71  -0.17500 -1.0 2.0
   63    54    56    71   0.20800  1.0 3.0
   63    54    75    73   0.06250  1.0 1.0
   63    54    75    73  -0.01100 -1.0 2.0
   63    54    75    73   0.28050  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
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    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   73    80    74    78   1.10000 -1.0 2.0
   84    79    78    74   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    70    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
