* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    234     438
    1     0 S   NP   _N1_     1    28.83268    94.09427   -20.55843
    2     1 S   H    _HN1     2     1.02778    85.59364   -78.37917
    3     1 S   H    _H1_     3     1.02962    96.07986    29.61803
    4     1 S   H    _H2_     4     1.02838    30.16056   143.39314
    5     1 S   CT   _CA1     5     1.50115   139.90191   161.74563
    6     5 S   HC   _HA1     6     1.09566   105.28032    49.47628
    7     5 S   CO3  _C1_     7     1.53843   112.31373   -70.88070
    8     7 S   O2Z  _O11     8     1.26369   115.00656   -44.05089
    9     7 S   O2Z  _O12     9     1.26234   114.93261   135.14228
   10     5 S   CT   _CB1    10     1.53084   107.43816   167.52352
   11    10 S   HC   HB11    11     1.09820   109.54225   -49.38754
   12    10 S   HC   HB12    12     1.09832   110.30668    67.21103
   13    10 S   CT   _CG1    13     1.53015   112.65318  -170.47707
   14    13 S   HC   HG11    14     1.09575   110.35147   -59.35412
   15    13 S   HC   HG12    15     1.09620   110.17363    59.86532
   16    13 S   C    _CD1    16     1.51790   112.10250  -179.78602
   17    16 S   O    _OE1    17     1.22732   123.18146   -10.34613
   18    16 S   N    _N2_    18     1.38603   111.69495   169.83593
   19    18 S   H    _HN2    19     1.01582   119.05994     2.27667
   20    18 S   CT1  _CA2    20     1.46309   123.36963  -175.73759
   21    20 S   HC   _HA2    21     1.09728   109.37604   -14.10995
   22    20 S   C    _C2_    22     1.53342   108.43804  -130.00813
   23    22 S   O    _O2_    23     1.23006   122.28551  -145.85117
   24    20 S   CT   _CB2    32     1.53507   111.07216   107.80232
   25    24 S   HC   HB21    33     1.09576   109.41796    56.23784
   26    24 S   HC   HB22    34     1.09494   110.82364   175.01465
   27    22 S   N    _N3_    24     1.38525   113.32439    41.54693
   28    27 S   H    _HN3    25     1.01530   118.89858    -0.57403
   29    24 S   S    _SG2    35     1.82797   111.39418   -65.09726
   30    27 S   CT   _CA3    26     1.45445   123.41068   175.07121
   31    30 S   HC   HA31    27     1.09526   109.18680    25.35962
   32    30 S   HC   HA32    28     1.09494   107.13540   142.35788
   33    29 S   CT   _C11    36     1.83278    99.66268   152.90866
   34    33 S   HC   _H3_    37     1.09461   110.94447   -36.76227
   35    30 S   CO3  _C3_    29     1.52929   113.14646   -98.08024
   36    35 S   O2Z  _O31    30     1.26400   115.41812   -44.17873
   37    35 S   O2Z  _O32    31     1.26357   114.97307   136.75853
   38    33 S   CM   _C4_    38     1.49589   108.29706    85.75478
   39    38 S   HC   _H24    39     1.08357   123.48190   -43.59757
   40    38 S   CMA  _C5_    40     1.34400   113.50388   137.13214
   41    40 S   OM   _O18    41     1.25818   132.90553   179.25480
   42    40 S   CT   _C17    42     1.55986   109.57038     3.72788
   43    33 S   CT   _C13    43     1.54854   113.00492  -162.81221
   44    43 S   HC   _H31    44     1.10131   105.86018   -33.46221
   45    42 S   CT   _C16    61     1.56830   114.35232  -142.10783
   46    45 S   HC   _H34    62     1.09819   107.17558   -51.87433
   47    42 S   CT   _C20    74     1.55022   105.28338    94.37603
   48    47 S   HC   _H41    75     1.08707   113.31880  -166.27519
   49    47 S   HC   _H42    76     1.09654   111.00313    72.79227
   50    47 S   HC   _H43    77     1.09699   112.11750   -46.64788
   51    43 S   CT   _C14    45     1.54977   117.59105    84.51638
   52    51 S   HC   _H32    46     1.09382   110.26374    73.91068
   53    45 S   OS   _O22    63     1.45886   108.12836    63.44519
   54    51 S   CT   _C10    47     1.54561   110.34125  -164.76700
   55    54 S   HC   _H27    48     1.09720   110.42396    47.90899
   56    54 S   HC   _H28    49     1.09938   107.31618   162.62559
   57    53 S   CO4  _C9_    64     1.36183   118.37668  -143.19107
   58    57 S   O    _O20    65     1.22318   126.61054    -3.39909
   59    51 S   CT   _C19    70     1.53674   113.41525   -43.76843
   60    59 S   HC   _H38    71     1.09465   111.63490   -59.56859
   61    59 S   HC   _H39    72     1.09605   110.60078  -179.15512
   62    59 S   HC   _H40    73     1.09380   111.43118    62.99853
   63    54 S   CT   _C15    50     1.52374   117.31587   -78.73798
   64    63 S   HC   _H33    51     1.10114   105.34644  -168.27143
   65    57 S   CT   _C18    66     1.49827   109.33623   177.30528
   66    65 S   HC   _H35    67     1.09303   109.82937   -59.12440
   67    65 S   HC   _H36    68     1.09375   109.37435  -178.05579
   68    65 S   HC   _H37    69     1.09285   109.80108    62.75219
   69    63 S   CT   _C12    52     1.52389   120.59952    70.48099
   70    69 S   HC   _H30    53     1.09997   105.60225   100.18506
   71    69 S   CM   _C6_    54     1.49449   100.25582  -148.49481
   72    71 S   CO4  _C7_    55     1.47484   110.01678    14.68677
   73    72 S   O    _O19    56     1.21747   127.10080   175.05866
   74    71 S   CM   _C8_    58     1.33624   128.17726  -163.75559
   75    74 S   HC   _H25    59     1.08526   120.74529    -0.79229
   76    74 S   HC   _H26    60     1.08498   121.82075   179.25480
   77    63 S   OS   _O21    57     1.43902   110.41336   -55.73653
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  19   7   6   2
   1   1  12   8  10  13   6   5   6   4   4   2   1   1   8   5
   3   2   1   1   8   4   6   5   2   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    59    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    69    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    63    69    70    71    45    46    53    57    59    47    48    49    50  
   44    51    52    54    55    56    63    69    45    46    53    59    60    61    62    47    48    49    50  
   51    52    54    45    59    47  
   46    53    57    58    65    47    48    49    50    51    54    63    64    69    70    71    72    74    77  
   53    57    47    63    69    70    71  
   48    49    50    51    53    69  
   49    50  
   50  
    0  
   52    54    55    56    63    64    69    77    59    60    61    62  
   54    55    56    63    59    60    61    62  
   57    58    65    66    67    68    63    69    70    71  
   55    56    63    64    69    70    71    72    77    59    60    61    62  
   56    63    64    69    77    59  
   63    64    69    77    59  
   58    65    66    67    68    69  
   65    66    67    68  
   60    61    62    63  
   61    62  
   62  
    0  
   64    69    70    71    72    73    77    74  
   69    70    71    72    77  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    77    74    75    76  
   71    72    77    74  
   72    73    77    74    75    76  
   73    77    74    75    76  
   77    74  
   75    76    77  
   76  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    59   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    77   320.000  1.410
   69    70   340.000  1.090
   69    71   317.000  1.510
   69    45   268.000  1.529
   71    72   320.000  1.462
   71    74   549.000  1.340
   72    73   570.000  1.229
   72    77   214.000  1.327
   74    75   340.000  1.080
   74    76   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    57   214.000  1.327
   57    58   570.000  1.229
   57    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    69    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    59    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    69    58.35000  112.70000
   54    63    77    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    70.00000  112.02700
   63    69    45    58.35000  112.70000
   63    77    72    83.00000  116.90000
   69    63    64    37.50000  110.70000
   69    71    72    65.00000  116.34900
   69    71    74    70.00000  124.00000
   69    45    46    37.50000  110.70000
   69    45    53    50.00000  109.50000
   71    69    70    35.00000  109.50000
   71    72    73    80.00000  123.72100
   71    72    77    90.00000  111.29400
   71    74    75    35.00000  120.00000
   71    74    76    35.00000  120.00000
   77    63    64    35.00000  109.50000
   77    63    69    50.00000  109.50000
   77    72    73    83.00000  123.40000
   74    71    72    65.00000  118.96000
   76    74    75    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    69    70    37.50000  110.70000
   45    69    71    70.00000  112.02700
   45    53    57    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    57    58    83.00000  123.40000
   53    57    65    81.00000  111.40000
   57    65    66    35.00000  109.50000
   57    65    67    35.00000  109.50000
   57    65    68    35.00000  109.50000
   65    57    58    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    54    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    59   0.56750  1.0 1.0
   33    43    51    59  -0.07550 -1.0 2.0
   33    43    51    59   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    69   0.34400  1.0 1.0
   40    42    45    69   0.09450 -1.0 2.0
   40    42    45    69   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    59   0.56750  1.0 1.0
   42    43    51    59  -0.07550 -1.0 2.0
   42    43    51    59   0.20000  1.0 3.0
   42    45    53    57  -0.25900  1.0 1.0
   42    45    53    57  -0.47000 -1.0 2.0
   42    45    53    57   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    69   0.56750  1.0 1.0
   43    42    45    69  -0.07550 -1.0 2.0
   43    42    45    69   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    56   0.15000  1.0 3.0
   43    51    54    63   0.56750  1.0 1.0
   43    51    54    63  -0.07550 -1.0 2.0
   43    51    54    63   0.20000  1.0 3.0
   43    51    59    60   0.15000  1.0 3.0
   43    51    59    61   0.15000  1.0 3.0
   43    51    59    62   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    59   0.15000  1.0 3.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    69   0.56750  1.0 1.0
   51    54    63    69  -0.07550 -1.0 2.0
   51    54    63    69   0.20000  1.0 3.0
   51    54    63    77   0.62750  1.0 1.0
   51    54    63    77  -0.30950 -1.0 2.0
   51    54    63    77   0.27300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    63   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   54    51    59    60   0.15000  1.0 3.0
   54    51    59    61   0.15000  1.0 3.0
   54    51    59    62   0.15000  1.0 3.0
   54    63    69    70   0.15000  1.0 3.0
   54    63    69    71   0.34400  1.0 1.0
   54    63    69    71   0.09450 -1.0 2.0
   54    63    69    71   0.11100  1.0 3.0
   54    63    69    45   0.56750  1.0 1.0
   54    63    69    45  -0.07550 -1.0 2.0
   54    63    69    45   0.20000  1.0 3.0
   54    63    77    72  -0.25900  1.0 1.0
   54    63    77    72  -0.47000 -1.0 2.0
   54    63    77    72   0.11750  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    69   0.15000  1.0 3.0
   55    54    63    77   0.23400  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    69   0.15000  1.0 3.0
   56    54    63    77   0.23400  1.0 3.0
   63    69   -71    72   0.09700  1.0 1.0
   63    69   -71    72   0.15600 -1.0 2.0
   63    69   -71    72  -0.50800  1.0 3.0
   63    69    71    74   0.09850  1.0 1.0
   63    69    71    74   0.15250 -1.0 2.0
   63    69    71    74  -0.50650  1.0 3.0
   63    69    45    42   0.56750  1.0 1.0
   63    69    45    42  -0.07550 -1.0 2.0
   63    69    45    42   0.20000  1.0 3.0
   63    69    45    46   0.15000  1.0 3.0
   63    69    45    53   0.62750  1.0 1.0
   63    69    45    53  -0.30950 -1.0 2.0
   63    69    45    53   0.27300  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    45   0.15000  1.0 3.0
   64    63    77    72   0.08050  1.0 3.0
   69    63   -77    72  -0.25900  1.0 1.0
   69    63   -77    72  -0.47000 -1.0 2.0
   69    63   -77    72   0.11750  1.0 3.0
   69    71    72    73  -0.64400  1.0 1.0
   69    71    72    73   0.26850 -1.0 2.0
   69    71   -72    77  -0.15000  1.0 1.0
   69    71   -72    77   0.89550 -1.0 2.0
   69    71   -72    77  -0.06900  1.0 3.0
   69    71    74    75   7.00000 -1.0 2.0
   69    71    74    76   7.00000 -1.0 2.0
   69    45    53    57  -0.25900  1.0 1.0
   69    45    53    57  -0.47000 -1.0 2.0
   69    45    53    57   0.11750  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    74   0.00000  1.0 1.0
   70    69    45    42   0.15000  1.0 3.0
   70    69    45    46   0.15000  1.0 3.0
   70    69    45    53   0.23400  1.0 3.0
   71    69    45    42   0.34400  1.0 1.0
   71    69    45    42   0.09450 -1.0 2.0
   71    69    45    42   0.11100  1.0 3.0
   71    69    45    46   0.15000  1.0 3.0
   71    69    45    53   0.61850  1.0 1.0
   71    69    45    53  -0.22750 -1.0 2.0
   71    69    45    53   0.15300  1.0 3.0
   71    72   -77    63   2.00000 -1.0 2.0
   72    71    74    75   7.00000 -1.0 2.0
   72    71    74    76   7.00000 -1.0 2.0
   73    72    77    63   3.00000 -1.0 2.0
   77    63    69    70   0.23400  1.0 3.0
   77    63   -69    71   0.61850  1.0 1.0
   77    63   -69    71  -0.22750 -1.0 2.0
   77    63   -69    71   0.15300  1.0 3.0
   77    63    69    45   0.62750  1.0 1.0
   77    63    69    45  -0.30950 -1.0 2.0
   77    63    69    45   0.27300  1.0 3.0
   74    71    72    73   1.00000 -1.0 2.0
   74    71    72    77  -0.56150  1.0 1.0
   74    71    72    77   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    69    71    72   0.09700  1.0 1.0
   45    69    71    72   0.15600 -1.0 2.0
   45    69    71    72  -0.50800  1.0 3.0
   45    69    71    74   0.09850  1.0 1.0
   45    69    71    74   0.15250 -1.0 2.0
   45    69    71    74  -0.50650  1.0 3.0
   45    53    57    58   3.00000 -1.0 2.0
   45    53    57    65   1.63150  1.0 1.0
   45    53    57    65   2.92000 -1.0 2.0
   46    45    53    57   0.08050  1.0 3.0
   53    57    65    66   0.00000  1.0 1.0
   53    57    65    67   0.00000  1.0 1.0
   53    57    65    68   0.00000  1.0 1.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    67   0.00000  1.0 1.0
   58    57    65    68   0.00000  1.0 1.0
   59    51    54    55   0.15000  1.0 3.0
   59    51    54    56   0.15000  1.0 3.0
   59    51    54    63   0.56750  1.0 1.0
   59    51    54    63  -0.07550 -1.0 2.0
   59    51    54    63   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    69   0.56750  1.0 1.0
   47    42    45    69  -0.07550 -1.0 2.0
   47    42    45    69   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   69    72    71    74   1.10000 -1.0 2.0
   71    77    72    73  10.50000 -1.0 2.0
   75    76    74    71   1.10000 -1.0 2.0
   53    65    57    58  10.50000 -1.0 2.0
END
