* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    161    246     475
    1     0 S   NP   _N1_     1    28.96591    98.93790   -20.46248
    2     1 S   H    _HN1     2     1.02782    82.69846   -84.47700
    3     1 S   H    _H1_     3     1.02950    66.80991    29.10525
    4     1 S   H    _H2_     4     1.02829    58.11502   159.14886
    5     1 S   CT   _CA1     5     1.50135   164.43734   111.92674
    6     5 S   HC   _HA1     6     1.09571   105.21052   101.11151
    7     5 S   CO3  _C1_     7     1.53808   112.28620   -19.13234
    8     7 S   O2Z  _O11     8     1.26375   114.99839   -45.12875
    9     7 S   O2Z  _O12     9     1.26222   114.92993   133.80217
   10     5 S   CT   _CB1    10     1.53062   107.39902  -140.93532
   11    10 S   HC   HB11    11     1.09829   109.42720   -49.35803
   12    10 S   HC   HB12    12     1.09815   110.44180    67.26737
   13    10 S   CT   _CG1    13     1.52975   112.58903  -170.34103
   14    13 S   HC   HG11    14     1.09480   110.53002   -62.99473
   15    13 S   HC   HG12    15     1.09662   109.90664    56.12565
   16    13 S   C    _CD1    16     1.51797   112.21867   176.36751
   17    16 S   O    _OE1    17     1.22749   123.24587    -0.62870
   18    16 S   N    _N2_    18     1.38645   111.73480   179.94405
   19    18 S   H    _HN2    19     1.01603   119.03193     0.52227
   20    18 S   CT1  _CA2    20     1.46223   123.31730   177.45401
   21    20 S   HC   _HA2    21     1.09744   109.30009     1.93026
   22    20 S   C    _C2_    22     1.53568   108.85381  -113.52827
   23    22 S   O    _O2_    23     1.23075   122.24306  -149.84403
   24    20 S   CT   _CB2    32     1.53495   111.65626   123.86767
   25    24 S   HC   HB21    33     1.09401   109.44982    57.57280
   26    24 S   HC   HB22    34     1.09393   109.55135   176.36611
   27    22 S   N    _N3_    24     1.38320   113.77972    37.73491
   28    27 S   H    _HN3    25     1.01588   119.53521    -3.75895
   29    24 S   S    _SG2    35     1.82993   110.93369   -64.21303
   30    27 S   CT   _CA3    26     1.45283   123.19662   176.98585
   31    30 S   HC   HA31    27     1.09550   107.52821   -63.96393
   32    30 S   HC   HA32    28     1.09558   107.95775    52.46125
   33    29 S   CT   _C17    36     1.90373   102.56500   170.43195
   34    30 S   CO3  _C3_    29     1.52951   114.10311   174.43623
   35    34 S   O2Z  _O31    30     1.26374   116.06262    -0.83087
   36    34 S   O2Z  _O32    31     1.26430   114.41154   179.23485
   37    33 S   CM   _C4_    37     1.51289   104.94173   -62.83458
   38    37 S   HC   _H25    38     1.09013   116.36633    90.89561
   39    33 S   CT   _C12    54     1.54509   109.19207    57.72002
   40    39 S   HC   _H31    55     1.09623   111.62553   -59.51731
   41    39 S   HC   _H32    56     1.09736   110.13636  -174.65621
   42    37 S   CMA  _C5_    39     1.35144   125.69762   -90.76122
   43    42 S   OM   _O21    40     1.26450   128.17150  -176.09580
   44    42 S   CT   _C14    41     1.55268   119.34696     0.50629
   45    44 S   HC   _H35    42     1.10414   105.07279  -117.15570
   46    44 S   CT   _C13    43     1.55907   116.07359    -2.52057
   47    46 S   HC   _H33    44     1.09567   111.26083    97.61872
   48    46 S   HC   _H34    45     1.09839   107.19948  -148.91667
   49    44 S   CM   _C9_    79     1.53756   113.96826   125.39187
   50    33 S   CT   _C18    46     1.58513   111.59823   178.03278
   51    49 S   CM   _C6_    80     1.34420   120.93355   122.18629
   52    51 S   HC   _H26    81     1.08497   121.43259  -179.63846
   53    51 S   HC   _H27    82     1.08478   121.40318     0.10087
   54    49 S   CT   _C21    83     1.50560   118.61744   -57.30294
   55    54 S   HC   _H44    84     1.09331   111.05801   -64.03983
   56    54 S   HC   _H45    85     1.09394   111.08789    56.94095
   57    54 S   HC   _H46    86     1.09570   111.80844   176.42927
   58    50 S   CT   _C15    47     1.57651   109.34371   -60.96664
   59    58 S   HC   _H36    48     1.09772   108.92068    62.97730
   60    50 S   CT   _C23    75     1.56464   112.00040   178.36889
   61    60 S   HC   _H50    76     1.09262   112.88034    69.70180
   62    60 S   HC   _H51    77     1.09346   113.00181   -50.92406
   63    60 S   HC   _H52    78     1.09580   110.98253  -170.23535
   64    58 S   CT   _C16    49     1.55316   111.87317   -55.79396
   65    64 S   HC   _H37    50     1.09675   109.01624   -72.75139
   66    58 S   CT   _C22    71     1.54010   114.18445   179.22016
   67    66 S   HC   _H47    72     1.09410   111.91767    66.04569
   68    66 S   HC   _H48    73     1.09320   111.67043   -55.84488
   69    66 S   HC   _H49    74     1.09560   110.72578  -174.39639
   70    64 S   CT   _C11    51     1.53308   113.51179    49.51287
   71    70 S   HC   _H29    52     1.09728   109.28781  -169.10669
   72    70 S   HC   _H30    53     1.09696   109.59263    76.99024
   73    64 S   OS   _O23    57     1.44861   107.90017   169.43569
   74    73 S   CO4  _C10    58     1.35868   117.59392   153.71920
   75    74 S   O    _O22    59     1.22119   126.91955    -0.28116
   76    74 S   CM   _C8_    60     1.48518   108.57767  -179.66662
   77    76 S   CM   _C7_    61     1.34481   120.54876  -136.25180
   78    77 S   HC   _H28    62     1.08925   117.80581  -177.66301
   79    76 S   CT   _C20    67     1.50027   116.96321    46.07452
   80    79 S   HC   _H41    68     1.09483   110.69144   -70.78748
   81    79 S   HC   _H42    69     1.09517   110.43069    49.44051
   82    79 S   HC   _H43    70     1.09523   111.95794   169.07438
   83    77 S   CT   _C19    63     1.49582   128.23148     4.08485
   84    83 S   HC   _H38    64     1.09402   109.98270  -108.96642
   85    83 S   HC   _H39    65     1.09506   109.33859   132.51397
   86    83 S   HC   _H40    66     1.09246   113.50042    13.17723
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5  10   4  15   7  14   5   4
   8  14   6   2   1   3   2   1   1  16   9   5   2   1   1  12
   6   5   2   1   1   4   2   1   5   9   3  10   9   5   4   2
   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    58    70    39    40    41    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    50    58    59    64    70    71    72    39    40    41    66    60    61    62    63  
   35    36  
   36  
    0  
   38    42    43    44    45    46    50    58    70    39    40    41    60    49  
   42    43    44    50    39  
   40    41    73    60    42    46    50    58    64    65    70    71    72  
   41    50    64    70    71    72  
   50    64    70    71    72  
   43    44    45    46    47    48    50    49    51    54  
   44    45    46    49  
   45    46    47    48    50    58    60    49    51    52    53    54    55    56    57  
   46    47    48    50    49    51    54  
   47    48    50    58    59    64    66    60    61    62    63    49    51    54  
   48    50    58    60    49  
   50    58    60    49  
   51    52    53    54    55    56    57    50  
   58    59    64    65    70    73    66    67    68    69    60    61    62    63  
   52    53    54    55    56    57  
   53    54  
   54  
   55    56    57  
   56    57  
   57  
    0  
   59    64    65    70    71    72    73    74    66    67    68    69    60    61    62    63  
   64    65    70    73    66    67    68    69    60  
   61    62    63    64    66  
   62    63  
   63  
    0  
   65    70    71    72    73    74    75    76    66    67    68    69  
   70    71    72    73    74    66  
   67    68    69    70    73  
   68    69  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   74    75    76    77    79  
   75    76    77    78    83    79    80    81    82  
   76    77    79  
   77    78    83    84    85    86    79    80    81    82  
   78    83    84    85    86    79    80    81    82  
   83    84    85    86    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    50   268.000  1.529
   50    58   268.000  1.529
   50    60   268.000  1.529
   58    59   340.000  1.090
   58    64   268.000  1.529
   58    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   49    51   549.000  1.340
   49    54   317.000  1.510
   51    52   340.000  1.080
   51    53   340.000  1.080
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    46    58.35000  112.70000
   33    50    58    58.35000  112.70000
   33    50    60    58.35000  112.70000
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    70.00000  112.02700
   42    44    49    70.00000  110.12100
   44    42    43    85.00000  112.85300
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    49    51    70.00000  124.00000
   44    49    54    65.00000  117.92700
   46    44    45    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    46    47    37.50000  110.70000
   50    46    48    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    64    58.35000  112.70000
   50    58    66    58.35000  112.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    63    37.50000  110.70000
   58    64    65    37.50000  110.70000
   58    64    70    58.35000  112.70000
   58    64    73    50.00000  109.50000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    69    37.50000  110.70000
   64    58    59    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    39    58.35000  112.70000
   64    73    74    83.00000  116.90000
   70    64    65    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    41    37.50000  110.70000
   72    70    71    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    70    71    37.50000  110.70000
   39    70    72    37.50000  110.70000
   41    39    40    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    70    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    79    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    83    70.00000  124.00000
   76    79    80    35.00000  109.50000
   76    79    81    35.00000  109.50000
   76    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    85    35.00000  109.50000
   77    83    86    35.00000  109.50000
   83    77    78    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    76    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    50    58    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    46    70.00000  112.02700
   49    51    52    35.00000  120.00000
   49    51    53    35.00000  120.00000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   49    54    57    35.00000  109.50000
   53    51    52    35.00000  117.00000
   54    49    51    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    58   0.44750  1.0 1.0
   29    33    50    58  -0.17800 -1.0 2.0
   29    33    50    58   0.20200  1.0 3.0
   29    33    50    60   0.44750  1.0 1.0
   29    33    50    60  -0.17800 -1.0 2.0
   29    33    50    60   0.20200  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    58    59   0.15000  1.0 3.0
   33    50    58    64   0.56750  1.0 1.0
   33    50    58    64  -0.07550 -1.0 2.0
   33    50    58    64   0.20000  1.0 3.0
   33    50    58    66   0.56750  1.0 1.0
   33    50    58    66  -0.07550 -1.0 2.0
   33    50    58    66   0.20000  1.0 3.0
   33    50    60    61   0.15000  1.0 3.0
   33    50    60    62   0.15000  1.0 3.0
   33    50    60    63   0.15000  1.0 3.0
   37    33    50    46   0.34400  1.0 1.0
   37    33    50    46   0.09450 -1.0 2.0
   37    33    50    46   0.11100  1.0 3.0
   37    33    50    58   0.34400  1.0 1.0
   37    33    50    58   0.09450 -1.0 2.0
   37    33    50    58   0.11100  1.0 3.0
   37    33    50    60   0.34400  1.0 1.0
   37    33    50    60   0.09450 -1.0 2.0
   37    33    50    60   0.11100  1.0 3.0
   37    33    39    70   0.34400  1.0 1.0
   37    33    39    70   0.09450 -1.0 2.0
   37    33    39    70   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42   -44    46   0.09850  1.0 1.0
   37    42   -44    46   0.15250 -1.0 2.0
   37    42   -44    46  -0.50650  1.0 3.0
   37    42    44    49  -0.28300  1.0 1.0
   37    42    44    49   0.26700 -1.0 2.0
   37    42    44    49  -0.63300  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    48   0.15000  1.0 3.0
   42    44    46    50   0.34400  1.0 1.0
   42    44    46    50   0.09450 -1.0 2.0
   42    44    46    50   0.11100  1.0 3.0
   42    44    49    51  -0.28300  1.0 1.0
   42    44    49    51   0.26700 -1.0 2.0
   42    44    49    51  -0.63300  1.0 3.0
   42    44    49    54   0.09700  1.0 1.0
   42    44    49    54   0.15600 -1.0 2.0
   42    44    49    54  -0.50800  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.09700  1.0 1.0
   43    42    44    46   0.15600 -1.0 2.0
   43    42    44    46  -0.50800  1.0 3.0
   43    42    44    49   0.09700  1.0 1.0
   43    42    44    49   0.15600 -1.0 2.0
   43    42    44    49  -0.50800  1.0 3.0
   44    46   -50    33   0.56750  1.0 1.0
   44    46   -50    33  -0.07550 -1.0 2.0
   44    46   -50    33   0.20000  1.0 3.0
   44    46    50    58   0.56750  1.0 1.0
   44    46    50    58  -0.07550 -1.0 2.0
   44    46    50    58   0.20000  1.0 3.0
   44    46    50    60   0.56750  1.0 1.0
   44    46    50    60  -0.07550 -1.0 2.0
   44    46    50    60   0.20000  1.0 3.0
   44    49    51    52   7.00000 -1.0 2.0
   44    49    51    53   7.00000 -1.0 2.0
   44    49    54    55   0.34800  1.0 3.0
   44    49    54    56   0.34800  1.0 3.0
   44    49    54    57   0.34800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    49    51   0.00000  1.0 1.0
   45    44    49    54   0.34800  1.0 3.0
   46    44    49    51   0.09850  1.0 1.0
   46    44    49    51   0.15250 -1.0 2.0
   46    44    49    51  -0.50650  1.0 3.0
   46    44    49    54   0.46850  1.0 1.0
   46    44    49    54   0.08550 -1.0 2.0
   46    44    49    54   0.09800  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    64   0.56750  1.0 1.0
   46    50    58    64  -0.07550 -1.0 2.0
   46    50    58    64   0.20000  1.0 3.0
   46    50    58    66   0.56750  1.0 1.0
   46    50    58    66  -0.07550 -1.0 2.0
   46    50    58    66   0.20000  1.0 3.0
   46    50    60    61   0.15000  1.0 3.0
   46    50    60    62   0.15000  1.0 3.0
   46    50    60    63   0.15000  1.0 3.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   47    46    50    60   0.15000  1.0 3.0
   48    46    50    33   0.15000  1.0 3.0
   48    46    50    58   0.15000  1.0 3.0
   48    46    50    60   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    70   0.56750  1.0 1.0
   50    33    39    70  -0.07550 -1.0 2.0
   50    33    39    70   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    58    64    65   0.15000  1.0 3.0
   50    58   -64    70   0.56750  1.0 1.0
   50    58   -64    70  -0.07550 -1.0 2.0
   50    58   -64    70   0.20000  1.0 3.0
   50    58    64    73   0.62750  1.0 1.0
   50    58    64    73  -0.30950 -1.0 2.0
   50    58    64    73   0.27300  1.0 3.0
   50    58    66    67   0.15000  1.0 3.0
   50    58    66    68   0.15000  1.0 3.0
   50    58    66    69   0.15000  1.0 3.0
   58    50    60    61   0.15000  1.0 3.0
   58    50    60    62   0.15000  1.0 3.0
   58    50    60    63   0.15000  1.0 3.0
   58    64    70    71   0.15000  1.0 3.0
   58    64    70    72   0.15000  1.0 3.0
   58    64    70    39   0.56750  1.0 1.0
   58    64    70    39  -0.07550 -1.0 2.0
   58    64    70    39   0.20000  1.0 3.0
   58    64    73    74  -0.25900  1.0 1.0
   58    64    73    74  -0.47000 -1.0 2.0
   58    64    73    74   0.11750  1.0 3.0
   59    58    64    65   0.15000  1.0 3.0
   59    58    64    70   0.15000  1.0 3.0
   59    58    64    73   0.23400  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    69   0.15000  1.0 3.0
   64    58    66    67   0.15000  1.0 3.0
   64    58    66    68   0.15000  1.0 3.0
   64    58    66    69   0.15000  1.0 3.0
   64    70   -39    33   0.56750  1.0 1.0
   64    70   -39    33  -0.07550 -1.0 2.0
   64    70   -39    33   0.20000  1.0 3.0
   64    70    39    40   0.15000  1.0 3.0
   64    70    39    41   0.15000  1.0 3.0
   64    73    74    75   3.00000 -1.0 2.0
   64    73    74    76   2.00000 -1.0 2.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    39   0.15000  1.0 3.0
   65    64    73    74   0.08050  1.0 3.0
   70    64    73    74  -0.25900  1.0 1.0
   70    64    73    74  -0.47000 -1.0 2.0
   70    64    73    74   0.11750  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    41   0.15000  1.0 3.0
   72    70    39    33   0.15000  1.0 3.0
   72    70    39    40   0.15000  1.0 3.0
   72    70    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    46   0.56750  1.0 1.0
   39    33    50    46  -0.07550 -1.0 2.0
   39    33    50    46   0.20000  1.0 3.0
   39    33   -50    58   0.56750  1.0 1.0
   39    33   -50    58  -0.07550 -1.0 2.0
   39    33   -50    58   0.20000  1.0 3.0
   39    33    50    60   0.56750  1.0 1.0
   39    33    50    60  -0.07550 -1.0 2.0
   39    33    50    60   0.20000  1.0 3.0
   73    64    70    71   0.23400  1.0 3.0
   73    64    70    72   0.23400  1.0 3.0
   73    64    70    39   0.62750  1.0 1.0
   73    64    70    39  -0.30950 -1.0 2.0
   73    64    70    39   0.27300  1.0 3.0
   73    74    76    77  -0.56150  1.0 1.0
   73    74    76    77   2.19150 -1.0 2.0
   73    74    76    79  -0.15000  1.0 1.0
   73    74    76    79   0.89550 -1.0 2.0
   73    74    76    79  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    83   7.00000 -1.0 2.0
   74    76    79    80   0.15000  1.0 3.0
   74    76    79    81   0.15000  1.0 3.0
   74    76    79    82   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    79  -0.64400  1.0 1.0
   75    74    76    79   0.26850 -1.0 2.0
   76    77    83    84   0.00000  1.0 1.0
   76    77    83    85   0.00000  1.0 1.0
   76    77    83    86   0.00000  1.0 1.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    81   0.00000  1.0 1.0
   77    76    79    82   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.33100  1.0 3.0
   78    77    83    86   0.33100  1.0 3.0
   79    76    77    78   7.00000 -1.0 2.0
   79    76    77    83   7.00000 -1.0 2.0
   66    58    64    65   0.15000  1.0 3.0
   66    58    64    70   0.56750  1.0 1.0
   66    58    64    70  -0.07550 -1.0 2.0
   66    58    64    70   0.20000  1.0 3.0
   66    58    64    73   0.62750  1.0 1.0
   66    58    64    73  -0.30950 -1.0 2.0
   66    58    64    73   0.27300  1.0 3.0
   60    50    58    59   0.15000  1.0 3.0
   60    50    58    64   0.56750  1.0 1.0
   60    50    58    64  -0.07550 -1.0 2.0
   60    50    58    64   0.20000  1.0 3.0
   60    50    58    66   0.56750  1.0 1.0
   60    50    58    66  -0.07550 -1.0 2.0
   60    50    58    66   0.20000  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    50   0.34400  1.0 1.0
   49    44    46    50   0.09450 -1.0 2.0
   49    44    46    50   0.11100  1.0 3.0
   51    49    54    55   0.00000  1.0 1.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    57   0.00000  1.0 1.0
   54    49    51    52   7.00000 -1.0 2.0
   54    49    51    53   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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    79    76    77  15.00000 -1.0 2.0
   83    78    77    76  15.00000 -1.0 2.0
   44    54    49    51  15.00000 -1.0 2.0
   52    53    51    49  15.00000 -1.0 2.0
END
