* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    165    243     464
    1     0 S   NP   _N1_     1    28.60158    95.05282   -25.68401
    2     1 S   H    _HN1     2     1.02947    69.71660    19.22623
    3     1 S   H    _H1_     3     1.02826    37.53094  -166.45055
    4     1 S   H    _H2_     4     1.02795   116.77466   -81.73248
    5     1 S   CT   _CA1     5     1.50123   128.00296   119.78526
    6     5 S   HC   _HA1     6     1.09574   105.15546    97.95542
    7     5 S   CO3  _C1_     7     1.53761   112.51443   -22.24656
    8     7 S   O2Z  _O11     8     1.26374   115.00259   -41.54167
    9     7 S   O2Z  _O12     9     1.26237   114.94100   137.50561
   10     5 S   CT   _CB1    10     1.53061   107.41117  -144.06271
   11    10 S   HC   HB11    11     1.09843   109.30605   -49.33071
   12    10 S   HC   HB12    12     1.09811   110.47731    67.25651
   13    10 S   CT   _CG1    13     1.53028   112.66091  -170.26918
   14    13 S   HC   HG11    14     1.09567   110.75305   -67.96616
   15    13 S   HC   HG12    15     1.09670   109.67968    51.28864
   16    13 S   C    _CD1    16     1.51811   111.95504   171.77787
   17    16 S   O    _OE1    17     1.22756   123.16785    13.44577
   18    16 S   N    _N2_    18     1.38654   111.85948  -166.56449
   19    18 S   H    _HN2    19     1.01572   118.95162     1.19436
   20    18 S   CT1  _CA2    20     1.46227   123.33911   176.05712
   21    20 S   HC   _HA2    21     1.09737   109.34507     7.54259
   22    20 S   C    _C2_    22     1.53676   108.68193  -107.96534
   23    22 S   O    _O2_    23     1.23075   122.24687  -147.69336
   24    20 S   CT   _CB2    32     1.53381   111.63159   129.66537
   25    24 S   HC   HB21    33     1.09445   109.80498    57.00633
   26    24 S   HC   HB22    34     1.09470   109.72055   175.74900
   27    22 S   N    _N3_    24     1.38306   113.83413    39.70955
   28    27 S   H    _HN3    25     1.01543   119.64210    -2.96755
   29    24 S   S    _SG2    35     1.82861   111.34626   -64.96585
   30    27 S   CT   _CA3    26     1.45289   123.30942   177.33685
   31    30 S   HC   HA31    27     1.09545   107.48568   -65.55389
   32    30 S   HC   HA32    28     1.09554   108.03673    50.92256
   33    29 S   CT   _C16    36     1.86194   101.37834   168.33316
   34    30 S   CO3  _C3_    29     1.52987   114.00916   172.93145
   35    34 S   O2Z  _O31    30     1.26389   116.06390    -0.83509
   36    34 S   O2Z  _O32    31     1.26422   114.42538   179.23179
   37    33 S   CM   _C4_    37     1.52420   107.12472   176.33617
   38    33 S   CT   _C20    86     1.53305   110.84003    51.91483
   39    38 S   HC   _H42    87     1.09553   111.57367   -72.45508
   40    38 S   HC   _H43    88     1.09631   111.61765   168.41933
   41    38 S   HC   _H44    89     1.09560   111.96086    48.50246
   42    37 S   CMA  _C5_    38     1.35086   112.57606    99.23452
   43    42 S   OM   _O22    39     1.25733   135.35311  -178.92899
   44    37 S   CT   _C24    75     1.50789   122.28754   -78.19983
   45    44 S   HC   _H54    76     1.09774   109.65468   148.51184
   46    44 S   HC   _H55    77     1.09332   109.56723    33.82510
   47    42 S   CT   _C12    40     1.51307   110.10107     0.21850
   48    47 S   HC   _H31    41     1.09642   112.54141   137.10406
   49    47 S   HC   _H32    42     1.09773   109.87991  -101.29662
   50    44 S   CM   _C8_    78     1.50320   112.36146   -92.02439
   51    50 S   HC   _H30    79     1.08991   115.12783   -56.92855
   52    33 S   CT   _C15    43     1.55167   110.69182   -74.34939
   53    52 S   HC   _H35    44     1.09540   112.95459    34.69830
   54    50 S   CM   _C7_    80     1.34200   127.99655   124.14557
   55    54 S   HC   _H29    81     1.08869   117.11239   179.63631
   56    52 S   OS   _O26    45     1.44894   109.41954   155.34199
   57    54 S   CT   _C18    82     1.49277   127.90399    -0.24147
   58    57 S   HC   _H36    83     1.09449   109.65788  -119.48808
   59    57 S   HC   _H37    84     1.09164   113.62700     1.35089
   60    57 S   HC   _H38    85     1.09453   109.63020   121.98269
   61    56 S   CO4  _C11    46     1.35865   117.58411  -164.68507
   62    61 S   O    _O24    47     1.22225   126.97994     2.18686
   63    61 S   C3T  _C14    48     1.47967   110.91748  -179.48036
   64    63 S   HC   _H34    49     1.08696   112.51162   -84.98166
   65    63 S   C3T  _C13    50     1.51512   119.54127   132.25572
   66    65 S   HC   _H33    51     1.08707   116.48769    -3.63529
   67    63 S   C3T  _C17    52     1.52085   121.62841    61.20181
   68    65 S   CM   _C6_    61     1.47208   119.00184   137.18888
   69    68 S   HC   _H28    62     1.08888   114.37569   -28.92086
   70    67 S   CT   _C21    53     1.51040   120.29658     3.32631
   71    70 S   HC   _H45    54     1.09503   110.42486   -81.61278
   72    70 S   HC   _H46    55     1.09519   110.12701   158.97171
   73    70 S   HC   _H47    56     1.09484   112.44969    39.21640
   74    67 S   CT   _C22    57     1.51006   116.67827  -139.99949
   75    74 S   HC   _H48    58     1.09531   110.09278    90.06233
   76    74 S   HC   _H49    59     1.09502   112.63374   -29.71641
   77    74 S   HC   _H50    60     1.09496   110.36490  -150.59158
   78    68 S   CM   _C9_    63     1.34760   126.84578   151.86001
   79    78 S   CO4  _C10    64     1.49387   116.83124   179.92867
   80    79 S   O    _O23    65     1.22285   124.64601    -1.11470
   81    78 S   CT   _C19    71     1.50066   124.07334    -0.13270
   82    81 S   HC   _H39    72     1.09514   110.46764   121.34734
   83    81 S   HC   _H40    73     1.09508   110.41781  -118.36909
   84    81 S   HC   _H41    74     1.09397   112.76880     1.59594
   85    79 S   OS   _O25    66     1.36058   109.72102   178.79439
   86    85 S   CT   _C23    67     1.43096   115.40223  -179.93439
   87    86 S   HC   _H51    68     1.09328   108.09134  -179.97202
   88    86 S   HC   _H52    69     1.09423   110.28782    61.33353
   89    86 S   HC   _H53    70     1.09423   110.29021   -61.29639
  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
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   7   3   5   2   5   4   6   3   2   1   1   9   4  15   6
  15   6  11  11   3   7   3   2   1   3   2   1   1   8  10   3
   4   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    61    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    61  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    59    60  
   54    55    57  
   53    56    61    62    63  
   56    61  
   55    57    58    59    60  
   57    58    59    60  
   61    62    63    64    65    67  
   58    59    60  
   59    60  
   60  
    0  
   62    63    64    65    66    67    70    74    68  
   63    64    65    67  
   64    65    66    67    70    71    72    73    74    75    76    77    68    69    78  
   65    66    67    70    74    68  
   66    67    70    71    72    73    74    75    76    77    68    69    78    79    81  
   67    70    74    68    69    78  
   70    71    72    73    74    75    76    77    68    69    78  
   69    78    79    80    85    81    82    83    84    70    74  
   78    79    81  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    85    86    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    61   214.000  1.327
   61    62   570.000  1.229
   61    63   290.000  1.496
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    67   260.000  1.509
   65    66   340.000  1.088
   65    67   260.000  1.509
   65    68   305.000  1.480
   67    70   275.000  1.510
   67    74   275.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   68    69   340.000  1.080
   68    78   549.000  1.340
   78    79   320.000  1.462
   78    81   317.000  1.510
   79    80   570.000  1.229
   79    85   214.000  1.327
   85    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    61    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    61    62    83.00000  123.40000
   56    61    63    81.00000  111.40000
   61    63    64    40.00000  116.18000
   61    63    65    65.00000  117.18000
   61    63    67    65.00000  117.18000
   63    61    62    75.00000  121.36600
   63    65    66    37.50000  117.20000
   63    65    67    10.00000   60.00500
   63    65    68    60.00000  120.58800
   63    67    65    10.00000   60.00500
   63    67    70    60.00000  120.94000
   63    67    74    60.00000  120.94000
   65    63    64    37.50000  117.20000
   65    67    70    60.00000  120.94000
   65    67    74    60.00000  120.94000
   65    68    69    40.00000  117.24000
   65    68    78    55.00000  125.06700
   67    63    64    37.50000  117.20000
   67    63    65    10.00000   60.00500
   67    65    66    37.50000  117.20000
   67    70    71    45.00000  109.38400
   67    70    72    45.00000  109.38400
   67    70    73    45.00000  109.38400
   67    74    75    45.00000  109.38400
   67    74    76    45.00000  109.38400
   67    74    77    45.00000  109.38400
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   68    65    66    40.00000  112.45000
   68    65    67    60.00000  120.58800
   68    78    79    65.00000  118.96000
   68    78    81    70.00000  124.00000
   78    68    69    35.00000  120.00000
   78    79    80    80.00000  123.72100
   78    79    85    90.00000  111.29400
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    83.00000  116.90000
   85    79    80    83.00000  123.40000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    78    79    65.00000  116.34900
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   57    54    55    35.00000  117.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    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    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    61  -0.25900  1.0 1.0
   33    52    56    61  -0.47000 -1.0 2.0
   33    52    56    61   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    61  -0.25900  1.0 1.0
   47    52    56    61  -0.47000 -1.0 2.0
   47    52    56    61   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    61    62   3.00000 -1.0 2.0
   52    56    61    63   1.63150  1.0 1.0
   52    56    61    63   2.92000 -1.0 2.0
   53    52    56    61   0.08050  1.0 3.0
   56    61    63    64   0.00000  1.0 1.0
   56    61    63    65   0.36750  1.0 3.0
   56    61    63    67   0.36750  1.0 3.0
   61    63    65    66   0.15000  1.0 3.0
   61    63   -65    67  -0.95700  1.0 1.0
   61    63   -65    67  -0.18200 -1.0 2.0
   61    63   -65    67   0.29450  1.0 3.0
   61    63    65    68  -0.98800  1.0 1.0
   61    63    65    68   0.48800 -1.0 2.0
   61    63    65    68   0.76800  1.0 3.0
   61    63   -67    65  -0.95700  1.0 1.0
   61    63   -67    65  -0.18200 -1.0 2.0
   61    63   -67    65   0.29450  1.0 3.0
   61    63    67    70  -0.95700  1.0 1.0
   61    63    67    70  -0.18200 -1.0 2.0
   61    63    67    70   0.29450  1.0 3.0
   61    63    67    74  -0.95700  1.0 1.0
   61    63    67    74  -0.18200 -1.0 2.0
   61    63    67    74   0.29450  1.0 3.0
   62    61    63    64   0.50000  1.0 3.0
   62    61    63    65   0.30150 -1.0 2.0
   62    61    63    67   0.30150 -1.0 2.0
   63    65   -67    70   0.07850  1.0 1.0
   63    65   -67    70  -0.03950 -1.0 2.0
   63    65   -67    70   0.67350  1.0 3.0
   63    65   -67    74   0.07850  1.0 1.0
   63    65   -67    74  -0.03950 -1.0 2.0
   63    65   -67    74   0.67350  1.0 3.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    78   0.09850  1.0 1.0
   63    65    68    78   0.15250 -1.0 2.0
   63    65    68    78  -0.50650  1.0 3.0
   63    67    70    71   0.15000  1.0 3.0
   63    67    70    72   0.15000  1.0 3.0
   63    67    70    73   0.15000  1.0 3.0
   63    67    74    75   0.15000  1.0 3.0
   63    67    74    76   0.15000  1.0 3.0
   63    67    74    77   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63   -65    67   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63   -67    65   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    67    74   0.15000  1.0 3.0
   65    63   -67    70   0.07850  1.0 1.0
   65    63   -67    70  -0.03950 -1.0 2.0
   65    63   -67    70   0.67350  1.0 3.0
   65    63   -67    74   0.07850  1.0 1.0
   65    63   -67    74  -0.03950 -1.0 2.0
   65    63   -67    74   0.67350  1.0 3.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    72   0.15000  1.0 3.0
   65    67    70    73   0.15000  1.0 3.0
   65    67    74    75   0.15000  1.0 3.0
   65    67    74    76   0.15000  1.0 3.0
   65    67    74    77   0.15000  1.0 3.0
   65    68    78    79   7.00000 -1.0 2.0
   65    68    78    81   7.00000 -1.0 2.0
   66    65   -67    63   0.15000  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   66    65    67    74   0.15000  1.0 3.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    78   0.00000  1.0 1.0
   67    63   -65    66   0.15000  1.0 3.0
   67    63   -65    68   0.34400  1.0 1.0
   67    63   -65    68   0.09450 -1.0 2.0
   67    63   -65    68   0.11100  1.0 3.0
   67    65    68    69   0.00000  1.0 1.0
   67    65    68    78   0.09850  1.0 1.0
   67    65    68    78   0.15250 -1.0 2.0
   67    65    68    78  -0.50650  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   68    65   -67    63   0.34400  1.0 1.0
   68    65   -67    63   0.09450 -1.0 2.0
   68    65   -67    63   0.11100  1.0 3.0
   68    65    67    70   0.34400  1.0 1.0
   68    65    67    70   0.09450 -1.0 2.0
   68    65    67    70   0.11100  1.0 3.0
   68    65    67    74   0.34400  1.0 1.0
   68    65    67    74   0.09450 -1.0 2.0
   68    65    67    74   0.11100  1.0 3.0
   68    78    79    80   1.00000 -1.0 2.0
   68    78    79    85  -0.56150  1.0 1.0
   68    78    79    85   2.19150 -1.0 2.0
   68    78    81    82   0.00000  1.0 1.0
   68    78    81    83   0.00000  1.0 1.0
   68    78    81    84   0.00000  1.0 1.0
   69    68    78    79   7.00000 -1.0 2.0
   69    68    78    81   7.00000 -1.0 2.0
   78    79    85    86   2.00000 -1.0 2.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   79    85    86    87   0.08050  1.0 3.0
   79    85    86    88   0.08050  1.0 3.0
   79    85    86    89   0.08050  1.0 3.0
   80    79    85    86   3.00000 -1.0 2.0
   81    78    79    80  -0.64400  1.0 1.0
   81    78    79    80   0.26850 -1.0 2.0
   81    78    79    85  -0.15000  1.0 1.0
   81    78    79    85   0.89550 -1.0 2.0
   81    78    79    85  -0.06900  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    60   0.00000  1.0 1.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    59   0.33100  1.0 3.0
   55    54    57    60   0.33100  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    63    61    62  10.50000 -1.0 2.0
   65    69    68    78  15.00000 -1.0 2.0
   79    81    78    68  15.00000 -1.0 2.0
   78    85    79    80  10.50000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
END
