* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    157    230     455
    1     0 S   NP   _N1_     1    28.83130    96.38555   -24.87370
    2     1 S   H    _HN1     2     1.02788   115.12703   -93.07224
    3     1 S   H    _H1_     3     1.02948    70.68376     8.73032
    4     1 S   H    _H2_     4     1.02827    36.75520  -179.58316
    5     1 S   CT   _CA1     5     1.50122   129.26747   109.70443
    6     5 S   HC   _HA1     6     1.09574   105.17699    96.42089
    7     5 S   CO3  _C1_     7     1.53776   112.47429   -23.79220
    8     7 S   O2Z  _O11     8     1.26374   115.00208   -42.23505
    9     7 S   O2Z  _O12     9     1.26240   114.94314   136.83925
   10     5 S   CT   _CB1    10     1.53070   107.41019  -145.60530
   11    10 S   HC   HB11    11     1.09837   109.33611   -49.61128
   12    10 S   HC   HB12    12     1.09812   110.46545    66.98748
   13    10 S   CT   _CG1    13     1.53002   112.62746  -170.57454
   14    13 S   HC   HG11    14     1.09576   110.67564   -66.68951
   15    13 S   HC   HG12    15     1.09672   109.74175    52.55072
   16    13 S   C    _CD1    16     1.51808   112.13028   173.00047
   17    16 S   O    _OE1    17     1.22742   123.24843     9.45230
   18    16 S   N    _N2_    18     1.38662   111.74380  -170.60253
   19    18 S   H    _HN2    19     1.01579   118.93198     1.43572
   20    18 S   CT1  _CA2    20     1.46189   123.35914   176.74966
   21    20 S   HC   _HA2    21     1.09738   109.32599     4.80408
   22    20 S   C    _C2_    22     1.53601   108.72641  -110.66958
   23    22 S   O    _O2_    23     1.23070   122.23535  -148.32340
   24    20 S   CT   _CB2    32     1.53272   111.65915   126.81445
   25    24 S   HC   HB21    33     1.09594   110.30777    56.23859
   26    24 S   HC   HB22    34     1.09533   110.19107   175.41969
   27    22 S   N    _N3_    24     1.38311   113.78238    39.13564
   28    27 S   H    _HN3    25     1.01568   119.60728    -3.25732
   29    24 S   S    _SG2    35     1.82543   111.73985   -64.75096
   30    27 S   CT   _CA3    26     1.45286   123.25745   177.17777
   31    30 S   HC   HA31    27     1.09548   107.50627   -64.83890
   32    30 S   HC   HA32    28     1.09555   107.99910    51.61442
   33    29 S   CT   _C17    36     1.82602    98.57828  -179.27368
   34    33 S   HC   _H17    37     1.09576   108.39811   -59.47464
   35    33 S   HC   _H18    38     1.09242   107.26279    56.63879
   36    30 S   CO3  _C3_    29     1.52972   114.05061   173.61515
   37    36 S   O2Z  _O31    30     1.26382   116.06859    -0.60781
   38    36 S   O2Z  _O32    31     1.26426   114.41554   179.45320
   39    33 S   CT   _C16    39     1.53403   110.89976   178.59667
   40    39 S   HC   _H7_    40     1.09735   112.67597   -34.04397
   41    39 S   CO4  _C15    41     1.50819   110.75533    86.73074
   42    41 S   O    _O34    42     1.22148   126.05915   -45.53301
   43    41 S   OS   _O33    43     1.35915   110.29096   135.17493
   44    43 S   CT   _C13    44     1.44151   111.13025     4.10341
   45    44 S   HC   _H6_    45     1.09576   105.89749    96.07513
   46    44 S   CT   _C14    46     1.54725   105.90607  -145.96740
   47    46 S   HC   _H15    47     1.09786   109.08588    78.20934
   48    46 S   HC   _H16    48     1.09885   109.36889   -35.45091
   49    39 S   CT   _C12    62     1.54299   112.63132  -158.70641
   50    49 S   HC   _H5_    63     1.09960   107.83111   -29.65912
   51    46 S   CM   _C5_    49     1.51330   114.29691  -156.34581
   52    51 S   CM   _C6_    50     1.34882   119.86591  -111.28845
   53    52 S   HC   _H11    51     1.08961   118.55271    -6.14660
   54    51 S   CT   _C4_    82     1.50520   115.40953    65.09065
   55    54 S   HC   _H8_    83     1.09334   111.07884   -73.47680
   56    54 S   HC   _H9_    84     1.09262   112.95045   164.69318
   57    54 S   HC   _H10    85     1.09561   109.96664    46.27863
   58    52 S   CT   _C7_    52     1.51304   125.87384   159.55500
   59    58 S   HC   _H12    53     1.09351   111.57475    24.26516
   60    58 S   HC   _H13    54     1.09573   108.13000   141.34765
   61    58 S   CT   _C8_    55     1.55919   110.74932   -97.09598
   62    61 S   HC   _H3_    56     1.09767   109.69946   165.15572
   63    61 S   CM   _C9_    57     1.53590   111.15054    45.00493
   64    61 S   OS   _O37    75     1.44805   109.53153   -76.42964
   65    63 S   CM   _C10    58     1.35094   120.30448   -84.92266
   66    65 S   HC   _H14    59     1.09034   117.63780    -7.86137
   67    63 S   CT   _C20    71     1.50319   114.51200    89.25311
   68    67 S   HC   _H22    72     1.09427   110.61348   -53.43633
   69    67 S   HC   _H23    73     1.09143   113.55231  -174.40003
   70    67 S   HC   _H24    74     1.09520   109.68287    65.70103
   71    64 S   CO4  _C21    76     1.36240   117.41674   -82.03120
   72    71 S   O    _O38    77     1.22309   126.40567     0.29275
   73    65 S   CT   _C11    60     1.50210   129.30223   165.44179
   74    73 S   HC   _H4_    61     1.09421   112.70587    -3.60554
   75    71 S   CT   _C22    78     1.49833   109.48480  -179.89721
   76    75 S   HC   _H25    79     1.09290   109.81178   -61.36822
   77    75 S   HC   _H26    80     1.09378   109.36662   179.55987
   78    75 S   HC   _H27    81     1.09292   109.83765    60.53194
   79    73 S   OS   _O35    64     1.44547   106.22900   117.03844
   80    79 S   CO4  _C18    65     1.36235   117.95454   -96.98618
   81    80 S   O    _O36    66     1.22282   126.60369     0.43924
   82    80 S   CT   _C19    67     1.49863   109.35772  -179.38324
   83    82 S   HC   _H19    68     1.09291   109.83422   -60.27357
   84    82 S   HC   _H20    69     1.09375   109.36462  -179.28482
   85    82 S   HC   _H21    70     1.09286   109.84507    61.62389
  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   4
   9   4  10  12   5   4   2   1   1   9   5   4  13   5  11   8
   9   4   4   2   1   1   5   4   5   2   3   2   1   1   6   5
   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    73    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    73    74    49    50    79  
   41    42    43    44    73    49    50  
   42    43    44    45    46    73    49    50  
   43    44    49  
   44    45    46    47    48    51    73    49    50  
   45    46    47    48    51    52    65    73    74    49    50    79    54  
   46    47    48    51    73    49    50  
   47    48    51    52    53    58    73    49    50    54    55    56    57  
   48    51    52    49    54  
   51    52    49    54  
   50    79    80    51    63    65    66    73    74  
   79    65    73    74  
   52    53    58    59    60    61    54    55    56    57  
   53    58    59    60    61    62    63    64    54    55    56    57  
   58    59    60    61    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    63    65    67    64    71  
   60    61    62    63    64  
   61    62    63    64  
   62    63    65    66    73    67    68    69    70    64    71    72    75  
   63    65    67    64    71  
   65    66    73    74    79    67    68    69    70    64    71  
   71    72    75    76    77    78    65    67  
   66    73    74    79    80    67    68    69    70  
   73    74    79    67  
   68    69    70    73  
   69    70  
   70  
    0  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82  
   79    80  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   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   3.5000   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   0.220000   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  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   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    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   549.000  1.340
   63    67   317.000  1.510
   65    66   340.000  1.080
   65    73   317.000  1.510
   73    74   340.000  1.090
   73    49   268.000  1.529
   73    79   320.000  1.410
   49    50   340.000  1.090
   79    80   214.000  1.327
   80    81   570.000  1.229
   80    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   64    71   214.000  1.327
   71    72   570.000  1.229
   71    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   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    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    49    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    49    44    58.35000  112.70000
   39    49    73    58.35000  112.70000
   39    49    50    37.50000  110.70000
   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    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    73    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    54    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    65    70.00000  124.00000
   61    63    67    65.00000  117.92700
   61    64    71    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    73    70.00000  124.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   65    73    74    35.00000  109.50000
   65    73    49    70.00000  112.02700
   65    73    79    85.00000  110.90400
   73    65    66    35.00000  117.00000
   73    49    50    37.50000  110.70000
   73    79    80    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    73    74    37.50000  110.70000
   79    73    74    35.00000  109.50000
   79    73    49    50.00000  109.50000
   79    80    81    83.00000  123.40000
   79    80    82    81.00000  111.40000
   80    82    83    35.00000  109.50000
   80    82    84    35.00000  109.50000
   80    82    85    35.00000  109.50000
   82    80    81    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   67    63    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  110.90400
   64    71    72    83.00000  123.40000
   64    71    75    81.00000  111.40000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   75    71    72    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   54    51    52    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    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    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   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    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    73   0.56750  1.0 1.0
   33    39    49    73  -0.07550 -1.0 2.0
   33    39    49    73   0.20000  1.0 3.0
   33    39    49    50   0.15000  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    49   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    49   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
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    73   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    73  -0.95700  1.0 1.0
   41    39    49    73  -0.18200 -1.0 2.0
   41    39    49    73   0.29450  1.0 3.0
   41    39    49    50  -0.11250  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    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    73   0.62750  1.0 1.0
   43    44    49    73  -0.30950 -1.0 2.0
   43    44    49    73   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    54   0.46850  1.0 1.0
   44    46    51    54   0.08550 -1.0 2.0
   44    46    51    54   0.09800  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    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    73   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    73   0.56750  1.0 1.0
   46    44    49    73  -0.07550 -1.0 2.0
   46    44    49    73   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   7.00000 -1.0 2.0
   46    51    52    58   7.00000 -1.0 2.0
   46    51    54    55   0.34800  1.0 3.0
   46    51    54    56   0.34800  1.0 3.0
   46    51    54    57   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    54   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.00000  1.0 1.0
   51    52    58    61   0.09850  1.0 1.0
   51    52    58    61   0.15250 -1.0 2.0
   51    52    58    61  -0.50650  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    61    62   0.15000  1.0 3.0
   52    58    61    63   0.31000  1.0 1.0
   52    58    61    63   0.14700 -1.0 2.0
   52    58    61    63   0.07550  1.0 3.0
   52    58    61    64   0.61850  1.0 1.0
   52    58    61    64  -0.22750 -1.0 2.0
   52    58    61    64   0.15300  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.33100  1.0 3.0
   53    52    58    61   0.00000  1.0 1.0
   58    61    63    65   0.09850  1.0 1.0
   58    61    63    65   0.15250 -1.0 2.0
   58    61    63    65  -0.50650  1.0 3.0
   58    61    63    67   0.46850  1.0 1.0
   58    61    63    67   0.08550 -1.0 2.0
   58    61    63    67   0.09800  1.0 3.0
   58    61    64    71  -0.25900  1.0 1.0
   58    61    64    71  -0.47000 -1.0 2.0
   58    61    64    71   0.11750  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    63    65    66   7.00000 -1.0 2.0
   61    63    65    73   7.00000 -1.0 2.0
   61    63    67    68   0.34800  1.0 3.0
   61    63    67    69   0.34800  1.0 3.0
   61    63    67    70   0.34800  1.0 3.0
   61    64    71    72   3.00000 -1.0 2.0
   61    64    71    75   1.63150  1.0 1.0
   61    64    71    75   2.92000 -1.0 2.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    67   0.34800  1.0 3.0
   62    61    64    71   0.08050  1.0 3.0
   63    61    64    71  -0.82050  1.0 1.0
   63    61    64    71   0.00600 -1.0 2.0
   63    61    64    71   0.04400  1.0 3.0
   63    65    73    74   0.00000  1.0 1.0
   63    65    73    49   0.09850  1.0 1.0
   63    65    73    49   0.15250 -1.0 2.0
   63    65    73    49  -0.50650  1.0 3.0
   63    65    73    79   0.39000  1.0 1.0
   63    65    73    79  -0.05800 -1.0 2.0
   63    65    73    79  -0.55150  1.0 3.0
   65    63    67    68   0.00000  1.0 1.0
   65    63    67    69   0.00000  1.0 1.0
   65    63    67    70   0.00000  1.0 1.0
   65    73    49    39   0.34400  1.0 1.0
   65    73    49    39   0.09450 -1.0 2.0
   65    73    49    39   0.11100  1.0 3.0
   65    73    49    44   0.34400  1.0 1.0
   65    73    49    44   0.09450 -1.0 2.0
   65    73    49    44   0.11100  1.0 3.0
   65    73    49    50   0.15000  1.0 3.0
   65    73    79    80  -0.82050  1.0 1.0
   65    73    79    80   0.00600 -1.0 2.0
   65    73    79    80   0.04400  1.0 3.0
   66    65    73    74   0.33100  1.0 3.0
   66    65    73    49   0.00000  1.0 1.0
   66    65    73    79   0.00000  1.0 1.0
   73    79    80    81   3.00000 -1.0 2.0
   73    79    80    82   1.63150  1.0 1.0
   73    79    80    82   2.92000 -1.0 2.0
   74    73    49    39   0.15000  1.0 3.0
   74    73    49    44   0.15000  1.0 3.0
   74    73    49    50   0.15000  1.0 3.0
   74    73    79    80   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  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    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   49    73    79    80  -0.25900  1.0 1.0
   49    73    79    80  -0.47000 -1.0 2.0
   49    73    79    80   0.11750  1.0 3.0
   79    73    49    39   0.62750  1.0 1.0
   79    73    49    39  -0.30950 -1.0 2.0
   79    73    49    39   0.27300  1.0 3.0
   79    73    49    44   0.62750  1.0 1.0
   79    73    49    44  -0.30950 -1.0 2.0
   79    73    49    44   0.27300  1.0 3.0
   79    73    49    50   0.23400  1.0 3.0
   79    80    82    83   0.00000  1.0 1.0
   79    80    82    84   0.00000  1.0 1.0
   79    80    82    85   0.00000  1.0 1.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    84   0.00000  1.0 1.0
   81    80    82    85   0.00000  1.0 1.0
   67    63    65    66   7.00000 -1.0 2.0
   67    63    65    73   7.00000 -1.0 2.0
   64    61    63    65   0.39000  1.0 1.0
   64    61    63    65  -0.05800 -1.0 2.0
   64    61    63    65  -0.55150  1.0 3.0
   64    61    63    67   0.09700  1.0 1.0
   64    61    63    67   0.15600 -1.0 2.0
   64    61    63    67  -0.50800  1.0 3.0
   64    71    75    76   0.00000  1.0 1.0
   64    71    75    77   0.00000  1.0 1.0
   64    71    75    78   0.00000  1.0 1.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    77   0.00000  1.0 1.0
   72    71    75    78   0.00000  1.0 1.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   61    67    63    65   1.10000 -1.0 2.0
   73    66    65    63   1.10000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   64    75    71    72  10.50000 -1.0 2.0
END
