* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    244     475
    1     0 S   NP   _N1_     1    28.69593    96.64554   -23.76343
    2     1 S   H    _HN1     2     1.02828    38.05020   169.31540
    3     1 S   H    _H1_     3     1.02785   106.13657   -92.10211
    4     1 S   H    _H2_     4     1.02950    71.85821    12.39502
    5     1 S   CT   _CA1     5     1.50113   137.83689   113.03284
    6     5 S   HC   _HA1     6     1.09573   105.19729    92.48000
    7     5 S   CO3  _C1_     7     1.53792   112.46292   -27.75251
    8     7 S   O2Z  _O11     8     1.26372   115.00696   -42.42646
    9     7 S   O2Z  _O12     9     1.26241   114.94911   136.70848
   10     5 S   CT   _CB1    10     1.53081   107.41898  -149.53667
   11    10 S   HC   HB11    11     1.09832   109.37696   -49.73112
   12    10 S   HC   HB12    12     1.09813   110.44231    66.87887
   13    10 S   CT   _CG1    13     1.52986   112.60485  -170.71583
   14    13 S   HC   HG11    14     1.09584   110.61153   -65.42838
   15    13 S   HC   HG12    15     1.09670   109.80279    53.80092
   16    13 S   C    _CD1    16     1.51800   112.25406   174.25021
   17    16 S   O    _OE1    17     1.22728   123.29627     6.03572
   18    16 S   N    _N2_    18     1.38652   111.64472  -174.02247
   19    18 S   H    _HN2    19     1.01577   118.92934     1.85752
   20    18 S   CT1  _CA2    20     1.46195   123.41703   177.83544
   21    20 S   HC   _HA2    21     1.09734   109.36350     2.86327
   22    20 S   C    _C2_    22     1.53558   108.69021  -112.66532
   23    22 S   O    _O2_    23     1.23065   122.26466  -148.22768
   24    20 S   CT   _CB2    32     1.53317   111.54315   124.85456
   25    24 S   HC   HB21    33     1.09591   110.05076    55.98169
   26    24 S   HC   HB22    34     1.09445   110.14591   174.94049
   27    22 S   N    _N3_    24     1.38323   113.73300    39.23118
   28    27 S   H    _HN3    25     1.01584   119.58116    -3.33953
   29    24 S   S    _SG2    35     1.82906   111.51937   -64.70249
   30    27 S   CT   _CA3    26     1.45288   123.21170   177.11493
   31    30 S   HC   HA31    27     1.09549   107.50983   -64.56251
   32    30 S   HC   HA32    28     1.09557   107.98377    51.87290
   33    29 S   CT   _C18    36     1.86268    99.38398   177.28509
   34    33 S   HC   _H3_    37     1.09427   104.39000   -40.46575
   35    30 S   CO3  _C3_    29     1.52960   114.08676   173.87065
   36    35 S   O2Z  _O31    30     1.26376   116.06831    -0.68070
   37    35 S   O2Z  _O32    31     1.26429   114.41189   179.38071
   38    33 S   CT   _C12    38     1.55237   107.40931    77.35031
   39    38 S   HC   _H32    39     1.09329   110.55321   101.23626
   40    38 S   HC   _H33    40     1.09973   110.84902   -10.37077
   41    33 S   CT   _C19    62     1.57865   110.94209  -155.48117
   42    38 S   CT   _C15    41     1.55126   116.85534  -130.24731
   43    42 S   HC   _H37    42     1.09839   106.81346   106.24544
   44    41 S   CT   _C23    63     1.54565   110.90210    55.98878
   45    44 S   HC   _H50    64     1.09439   112.32103   -66.27453
   46    44 S   HC   _H51    65     1.09692   110.75910   176.95959
   47    44 S   HC   _H52    66     1.09485   111.43774    56.42312
   48    41 S   OH   _O25    67     1.43048   109.25326   -61.99563
   49    48 S   HO   _H54    68     0.97281   107.93668   179.01265
   50    42 S   CM   _C5_    43     1.52561   112.96391  -135.81358
   51    42 S   OH   _O24    87     1.41885   112.65114    -7.21961
   52    51 S   HO   _H53    88     0.97305   107.49711   175.02913
   53    50 S   CM   _C4_    44     1.35137   127.44501    94.65320
   54    53 S   HC   _H28    45     1.09009   117.77828  -179.10891
   55    50 S   CT   _C20    83     1.51094   113.56097   -84.47601
   56    55 S   HC   _H41    84     1.09498   110.22887   -61.77679
   57    55 S   HC   _H42    85     1.09513   112.57179   178.16773
   58    55 S   HC   _H43    86     1.09494   110.29644    58.12470
   59    53 S   CT   _C14    46     1.50158   128.24317    -2.06023
   60    59 S   HC   _H36    47     1.08947   111.38486    26.60736
   61    59 S   CT   _C16    48     1.52616   113.49865  -101.41676
   62    61 S   HC   _H38    49     1.10079   109.33102   -49.04467
   63    61 S   CM   _C6_    50     1.49275    98.18121  -158.36465
   64    61 S   CT   _C17    57     1.54002   113.96688    71.59394
   65    64 S   HC   _H39    58     1.08962   107.11176   -61.92720
   66    63 S   CO4  _C7_    51     1.48590   106.94843    30.87046
   67    66 S   O    _O21    52     1.21714   127.15148   165.81111
   68    63 S   CM   _C8_    54     1.33478   131.39128  -147.93501
   69    68 S   HC   _H29    55     1.08372   121.51778    -0.87223
   70    68 S   HC   _H30    56     1.08545   121.47832   179.30536
   71    64 S   CT   _C13    59     1.54141   115.70980    60.40225
   72    71 S   HC   _H34    60     1.09207   112.72776   -28.96018
   73    71 S   HC   _H35    61     1.09851   106.58739    85.82473
   74    64 S   OS   _O26    69     1.45135   109.59404  -178.08429
   75    59 S   OS   _O23    53     1.44147   110.35520   142.22825
   76    74 S   CO4  _C11    70     1.35903   117.73127    82.75515
   77    76 S   O    _O22    71     1.22104   127.05518    -1.21836
   78    76 S   CM   _C10    72     1.48346   108.47937   179.07931
   79    78 S   CM   _C9_    73     1.34453   120.32444  -132.32664
   80    79 S   HC   _H31    74     1.08919   117.85748  -177.80091
   81    78 S   CT   _C22    79     1.49929   116.92128    49.84257
   82    81 S   HC   _H47    80     1.09475   110.65532   -71.13981
   83    81 S   HC   _H48    81     1.09515   110.44617    49.06984
   84    81 S   HC   _H49    82     1.09519   111.93278   168.72890
   85    79 S   CT   _C21    75     1.49599   128.08677     3.91236
   86    85 S   HC   _H44    76     1.09404   109.95146  -110.12173
   87    85 S   HC   _H45    77     1.09500   109.35629   131.34459
   88    85 S   HC   _H46    78     1.09257   113.50623    11.90239
  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  10   5   4   3
  19   8   2   1   1  13   6   5  14  11   5   9   4   3   2   5
   1  12   3   1  13   5   4   2   1   1  12   6  15   8  10  11
   5   5   2   3   1   1   4   2   1   5   1   9   3  10   9   5
   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    71    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    64    71    72    73    41    44    45    46    47    48    49    51  
   38    39    40    42    71    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    53    71    41    44    48    55    51    52  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    74    42    61    64    65    71    72    73  
   43    50    53    54    59    55    56    57    58    51    52  
   50    53    55    51    52  
   45    46    47    48    49    64    71    72    73  
   46    47    48    71  
   47    48    71  
   48    71  
   49    64    71    72    73  
   71  
   53    54    59    60    61    75    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    63    66    75    64    55    56    57    58  
   59    60    61    75    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    66    67    75    68    64    65    71    74  
   61    62    63    66    75    64  
   62    63    66    67    75    68    69    70    64    65    71    72    73    74    76  
   63    66    75    68    64    65    71    74  
   66    67    75    68    69    70    64    65    71    74  
   65    71    72    73    74    76    77    78    66    68    75  
   71    72    73    74    76  
   67    75    68    69    70  
   75    68  
   69    70    75  
   70  
    0  
   72    73    74    76  
   73    74  
   74  
   76    77    78    79    81  
    0  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    88    81    82    83    84  
   80    85    86    87    88    81    82    83    84  
   85    86    87    88    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   317.000  1.510
   42    51   320.000  1.410
   50    53   549.000  1.340
   50    55   317.000  1.510
   53    54   340.000  1.080
   53    59   317.000  1.510
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    75   320.000  1.410
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   268.000  1.529
   63    66   320.000  1.462
   63    68   549.000  1.340
   66    67   570.000  1.229
   66    75   214.000  1.327
   68    69   340.000  1.080
   68    70   340.000  1.080
   64    65   340.000  1.090
   64    71   268.000  1.529
   64    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    41   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   74    76   214.000  1.327
   76    77   570.000  1.229
   76    78   320.000  1.462
   78    79   549.000  1.340
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   553.000  0.945
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    71    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    70.00000  112.02700
   38    42    51    50.00000  109.50000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    50    53    70.00000  124.00000
   42    50    55    65.00000  117.92700
   42    51    52    55.00000  108.50000
   50    42    43    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    59    70.00000  124.00000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   53    59    60    35.00000  109.50000
   53    59    61    70.00000  112.02700
   53    59    75    85.00000  110.90400
   59    53    54    35.00000  117.00000
   59    61    62    37.50000  110.70000
   59    61    63    70.00000  112.02700
   59    61    64    58.35000  112.70000
   59    75    66    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    63    66    65.00000  116.34900
   61    63    68    70.00000  124.00000
   61    64    65    37.50000  110.70000
   61    64    71    58.35000  112.70000
   61    64    74    50.00000  109.50000
   63    61    62    35.00000  109.50000
   63    66    67    80.00000  123.72100
   63    66    75    90.00000  111.29400
   63    68    69    35.00000  120.00000
   63    68    70    35.00000  120.00000
   75    59    60    35.00000  109.50000
   75    59    61    50.00000  109.50000
   75    66    67    83.00000  123.40000
   68    63    66    65.00000  118.96000
   70    68    69    35.00000  117.00000
   64    61    62    37.50000  110.70000
   64    61    63    70.00000  112.02700
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    41    58.35000  112.70000
   64    74    76    83.00000  116.90000
   71    64    65    37.50000  110.70000
   71    41    44    58.35000  112.70000
   71    41    48    50.00000  109.50000
   73    71    72    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    71    72    37.50000  110.70000
   41    71    73    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   74    64    65    35.00000  109.50000
   74    64    71    50.00000  109.50000
   74    76    77    83.00000  123.40000
   74    76    78    90.00000  111.29400
   76    78    79    65.00000  118.96000
   76    78    81    65.00000  116.34900
   78    76    77    80.00000  123.72100
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  124.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  109.50000
   79    85    87    35.00000  109.50000
   79    85    88    35.00000  109.50000
   85    79    80    35.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   55    50    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    90.00000  110.39200
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    71   0.44750  1.0 1.0
   29    33    41    71  -0.17800 -1.0 2.0
   29    33    41    71   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.34400  1.0 1.0
   33    38    42    50   0.09450 -1.0 2.0
   33    38    42    50   0.11100  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    71   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    71   0.56750  1.0 1.0
   38    33    41    71  -0.07550 -1.0 2.0
   38    33    41    71   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    53   0.09850  1.0 1.0
   38    42    50    53   0.15250 -1.0 2.0
   38    42    50    53  -0.50650  1.0 3.0
   38    42    50    55   0.46850  1.0 1.0
   38    42    50    55   0.08550 -1.0 2.0
   38    42    50    55   0.09800  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    50   0.15000  1.0 3.0
   39    38    42    51   0.23400  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    53    54   7.00000 -1.0 2.0
   42    50    53    59   7.00000 -1.0 2.0
   42    50    55    56   0.34800  1.0 3.0
   42    50    55    57   0.34800  1.0 3.0
   42    50    55    58   0.34800  1.0 3.0
   43    42    50    53   0.00000  1.0 1.0
   43    42    50    55   0.34800  1.0 3.0
   43    42    51    52   0.19450  1.0 3.0
   50    42    51    52  -0.07800  1.0 1.0
   50    42    51    52  -0.21500 -1.0 2.0
   50    42    51    52  -0.03150  1.0 3.0
   50    53    59    60   0.00000  1.0 1.0
   50    53    59    61   0.09850  1.0 1.0
   50    53    59    61   0.15250 -1.0 2.0
   50    53    59    61  -0.50650  1.0 3.0
   50    53    59    75   0.39000  1.0 1.0
   50    53    59    75  -0.05800 -1.0 2.0
   50    53    59    75  -0.55150  1.0 3.0
   53    50    55    56   0.00000  1.0 1.0
   53    50    55    57   0.00000  1.0 1.0
   53    50    55    58   0.00000  1.0 1.0
   53    59    61    62   0.15000  1.0 3.0
   53    59    61    63   0.31000  1.0 1.0
   53    59    61    63   0.14700 -1.0 2.0
   53    59    61    63   0.07550  1.0 3.0
   53    59    61    64   0.34400  1.0 1.0
   53    59    61    64   0.09450 -1.0 2.0
   53    59    61    64   0.11100  1.0 3.0
   53    59    75    66  -0.82050  1.0 1.0
   53    59    75    66   0.00600 -1.0 2.0
   53    59    75    66   0.04400  1.0 3.0
   54    53    59    60   0.33100  1.0 3.0
   54    53    59    61   0.00000  1.0 1.0
   54    53    59    75   0.00000  1.0 1.0
   59    61   -63    66   0.09700  1.0 1.0
   59    61   -63    66   0.15600 -1.0 2.0
   59    61   -63    66  -0.50800  1.0 3.0
   59    61    63    68   0.09850  1.0 1.0
   59    61    63    68   0.15250 -1.0 2.0
   59    61    63    68  -0.50650  1.0 3.0
   59    61    64    65   0.15000  1.0 3.0
   59    61    64    71   0.56750  1.0 1.0
   59    61    64    71  -0.07550 -1.0 2.0
   59    61    64    71   0.20000  1.0 3.0
   59    61    64    74   0.62750  1.0 1.0
   59    61    64    74  -0.30950 -1.0 2.0
   59    61    64    74   0.27300  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    75    66   0.08050  1.0 3.0
   61    59   -75    66  -0.25900  1.0 1.0
   61    59   -75    66  -0.47000 -1.0 2.0
   61    59   -75    66   0.11750  1.0 3.0
   61    63    66    67  -0.64400  1.0 1.0
   61    63    66    67   0.26850 -1.0 2.0
   61    63   -66    75  -0.15000  1.0 1.0
   61    63   -66    75   0.89550 -1.0 2.0
   61    63   -66    75  -0.06900  1.0 3.0
   61    63    68    69   7.00000 -1.0 2.0
   61    63    68    70   7.00000 -1.0 2.0
   61    64    71    72   0.15000  1.0 3.0
   61    64    71    73   0.15000  1.0 3.0
   61    64    71    41   0.56750  1.0 1.0
   61    64    71    41  -0.07550 -1.0 2.0
   61    64    71    41   0.20000  1.0 3.0
   61    64    74    76  -0.25900  1.0 1.0
   61    64    74    76  -0.47000 -1.0 2.0
   61    64    74    76   0.11750  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    63    68   0.00000  1.0 1.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    71   0.15000  1.0 3.0
   62    61    64    74   0.23400  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    71   0.34400  1.0 1.0
   63    61    64    71   0.09450 -1.0 2.0
   63    61    64    71   0.11100  1.0 3.0
   63    61    64    74   0.61850  1.0 1.0
   63    61    64    74  -0.22750 -1.0 2.0
   63    61    64    74   0.15300  1.0 3.0
   63    66   -75    59   2.00000 -1.0 2.0
   66    63    68    69   7.00000 -1.0 2.0
   66    63    68    70   7.00000 -1.0 2.0
   67    66    75    59   3.00000 -1.0 2.0
   75    59    61    62   0.23400  1.0 3.0
   75    59   -61    63   0.61850  1.0 1.0
   75    59   -61    63  -0.22750 -1.0 2.0
   75    59   -61    63   0.15300  1.0 3.0
   75    59    61    64   0.62750  1.0 1.0
   75    59    61    64  -0.30950 -1.0 2.0
   75    59    61    64   0.27300  1.0 3.0
   68    63    66    67   1.00000 -1.0 2.0
   68    63    66    75  -0.56150  1.0 1.0
   68    63    66    75   2.19150 -1.0 2.0
   64    61    63    66   0.09700  1.0 1.0
   64    61    63    66   0.15600 -1.0 2.0
   64    61    63    66  -0.50800  1.0 3.0
   64    61    63    68   0.09850  1.0 1.0
   64    61    63    68   0.15250 -1.0 2.0
   64    61    63    68  -0.50650  1.0 3.0
   64    71    41    33   0.56750  1.0 1.0
   64    71    41    33  -0.07550 -1.0 2.0
   64    71    41    33   0.20000  1.0 3.0
   64    71    41    44   0.56750  1.0 1.0
   64    71    41    44  -0.07550 -1.0 2.0
   64    71    41    44   0.20000  1.0 3.0
   64    71    41    48   0.86500  1.0 1.0
   64    71    41    48  -0.17500 -1.0 2.0
   64    71    41    48   0.20800  1.0 3.0
   64    74    76    77   3.00000 -1.0 2.0
   64    74    76    78   2.00000 -1.0 2.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    41   0.15000  1.0 3.0
   65    64    74    76   0.08050  1.0 3.0
   71    64    74    76  -0.25900  1.0 1.0
   71    64    74    76  -0.47000 -1.0 2.0
   71    64    74    76   0.11750  1.0 3.0
   71    41    44    45   0.15000  1.0 3.0
   71    41    44    46   0.15000  1.0 3.0
   71    41    44    47   0.15000  1.0 3.0
   71    41    48    49  -0.11600  1.0 1.0
   71    41    48    49  -0.09450 -1.0 2.0
   71    41    48    49   0.21250  1.0 3.0
   72    71    41    33   0.15000  1.0 3.0
   72    71    41    44   0.15000  1.0 3.0
   72    71    41    48   0.23400  1.0 3.0
   73    71    41    33   0.15000  1.0 3.0
   73    71    41    44   0.15000  1.0 3.0
   73    71    41    48   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
   74    64    71    72   0.23400  1.0 3.0
   74    64    71    73   0.23400  1.0 3.0
   74    64    71    41   0.62750  1.0 1.0
   74    64    71    41  -0.30950 -1.0 2.0
   74    64    71    41   0.27300  1.0 3.0
   74    76    78    79  -0.56150  1.0 1.0
   74    76    78    79   2.19150 -1.0 2.0
   74    76    78    81  -0.15000  1.0 1.0
   74    76    78    81   0.89550 -1.0 2.0
   74    76    78    81  -0.06900  1.0 3.0
   76    78    79    80   7.00000 -1.0 2.0
   76    78    79    85   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.15000  1.0 3.0
   77    76    78    79   1.00000 -1.0 2.0
   77    76    78    81  -0.64400  1.0 1.0
   77    76    78    81   0.26850 -1.0 2.0
   78    79    85    86   0.00000  1.0 1.0
   78    79    85    87   0.00000  1.0 1.0
   78    79    85    88   0.00000  1.0 1.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   80    79    85    86   0.33100  1.0 3.0
   80    79    85    87   0.33100  1.0 3.0
   80    79    85    88   0.33100  1.0 3.0
   81    78    79    80   7.00000 -1.0 2.0
   81    78    79    85   7.00000 -1.0 2.0
   55    50    53    54   7.00000 -1.0 2.0
   55    50    53    59   7.00000 -1.0 2.0
   51    42    50    53   0.67800  1.0 1.0
   51    42    50    53   0.47050 -1.0 2.0
   51    42    50    53  -0.62500  1.0 3.0
   51    42    50    55   0.18000  1.0 1.0
   51    42    50    55   0.16450 -1.0 2.0
   51    42    50    55   0.04450  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
   42    55    50    53   1.10000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   61    66    63    68   1.10000 -1.0 2.0
   63    75    66    67  10.50000 -1.0 2.0
   69    70    68    63   1.10000 -1.0 2.0
   74    78    76    77  10.50000 -1.0 2.0
   76    81    78    79  15.00000 -1.0 2.0
   85    80    79    78  15.00000 -1.0 2.0
END
