* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    170    257     502
    1     0 S   NP   _N1_     1    28.98072    99.45118   -20.21054
    2     1 S   H    _HN1     2     1.02771    90.01755   -92.25468
    3     1 S   H    _H1_     3     1.02955    62.84818    18.47259
    4     1 S   H    _H2_     4     1.02825    56.32363   156.00875
    5     1 S   CT   _CA1     5     1.50172   157.50096    95.81409
    6     5 S   HC   _HA1     6     1.09599   105.07331   109.50590
    7     5 S   CO3  _C1_     7     1.53606   112.47020   -10.19869
    8     7 S   O2Z  _O11     8     1.26327   115.07197   -41.91866
    9     7 S   O2Z  _O12     9     1.26281   114.83474   136.88217
   10     5 S   CT   _CB1    10     1.53067   107.35551  -133.00162
   11    10 S   HC   HB11    11     1.09815   108.64740   -53.14116
   12    10 S   HC   HB12    12     1.09804   110.61482    63.13328
   13    10 S   CT   _CG1    13     1.53071   112.95151  -174.51131
   14    13 S   HC   HG11    14     1.09597   110.36868   -73.31407
   15    13 S   HC   HG12    15     1.09693   109.94025    45.72717
   16    13 S   C    _CD1    16     1.51973   112.39794   165.46640
   17    16 S   O    _OE1    17     1.22776   123.33034    -0.12820
   18    16 S   N    _N2_    18     1.38488   111.75918  -178.78051
   19    18 S   H    _HN2    19     1.01599   118.82185    -0.72981
   20    18 S   CT1  _CA2    20     1.45791   122.99053   172.73572
   21    20 S   HC   _HA2    21     1.09717   109.07857    25.85674
   22    20 S   C    _C2_    22     1.53030   106.61336   -90.87757
   23    22 S   O    _O2_    23     1.22984   123.13825   -27.74556
   24    20 S   CT   _CB2    32     1.53150   112.21521   149.87821
   25    24 S   HC   HB21    33     1.09247   109.77486    49.10284
   26    24 S   HC   HB22    34     1.09550   110.46099   166.55655
   27    22 S   N    _N3_    24     1.38533   112.52937   155.01683
   28    27 S   H    _HN3    25     1.01653   120.32133    -2.09303
   29    24 S   S    _SG2    35     1.82768   111.18003   -75.46407
   30    27 S   CT   _CA3    26     1.45344   122.47566   178.59807
   31    30 S   HC   HA31    27     1.09568   107.80942   -55.75941
   32    30 S   HC   HA32    28     1.09563   107.60784    60.56701
   33    29 S   CT   _C23    36     1.87952   102.51085   128.88968
   34    30 S   CO3  _C3_    29     1.52885   114.34358  -177.66636
   35    34 S   O2Z  _O31    30     1.26334   116.07604     0.02798
   36    34 S   O2Z  _O32    31     1.26439   114.40412   179.98022
   37    33 S   CT   _C17    37     1.54948   105.11136   170.39338
   38    37 S   HC   _H43    38     1.09585   112.71997    60.90927
   39    37 S   HC   _H44    39     1.09532   111.24823  -178.29383
   40    37 S   HC   _H45    40     1.09747   111.37372   -59.70684
   41    33 S   CT   _C18    41     1.54550   107.94083    56.80249
   42    41 S   HC   _H46    42     1.09408   112.48741   -75.20390
   43    41 S   HC   _H47    43     1.09600   111.09180   165.13059
   44    41 S   HC   _H48    44     1.09670   111.83652    46.58928
   45    33 S   CT   _C22    45     1.59205   111.23773   -66.09275
   46    45 S   OM   _O21    46     1.32677   109.52997   -64.11014
   47    45 S   HC   _H54    47     1.09718   104.92883    64.18778
   48    45 S   CT   _C20    48     1.56289   112.38792   176.77675
   49    48 S   HC   _H51    49     1.09578   109.48784   -55.56977
   50    48 S   HC   _H52    50     1.09901   110.68644    60.07498
   51    48 S   CT   _C19    51     1.54725   116.14005  -177.39767
   52    51 S   HC   _H49    52     1.09824   107.79433   174.52926
   53    51 S   HC   _H50    53     1.09423   107.07743   -72.25310
   54    51 S   CT   _C21    54     1.55172   116.64406    51.82912
   55    54 S   HC   _H53    55     1.09693   108.94444   -60.81678
   56    54 S   CT   _C12    56     1.57135   112.26269   179.92087
   57    56 S   HC   _H32    57     1.09963   105.84785   -71.72396
   58    54 S   CT   _C16    86     1.54155   109.32625    57.20191
   59    58 S   HC   _H40    87     1.09556   110.82284    58.97406
   60    58 S   HC   _H41    88     1.09228   112.62177   179.58363
   61    58 S   HC   _H42    89     1.09379   111.57751   -61.24673
   62    56 S   CT   _C10    58     1.54893   111.94829   170.63655
   63    62 S   HC   _H29    59     1.09409   111.82843    20.74442
   64    62 S   HC   _H30    60     1.09570   111.18539   -95.13059
   65    56 S   CT   _C13    74     1.55596   114.43312    45.66539
   66    65 S   HC   _H33    75     1.09727   108.01805   -72.17402
   67    62 S   CT   _C9_    61     1.53513   112.31209   141.30272
   68    67 S   HC   _H27    62     1.09911   106.27388   -76.82554
   69    67 S   HC   _H28    63     1.09734   108.54172   169.44715
   70    65 S   OH   _O22    76     1.43296   109.09421    43.24571
   71    70 S   HO   _H55    77     0.97485   108.86649    71.64029
   72    67 S   CM   _C7_    64     1.51725   119.26908    44.51238
   73    72 S   CM   _C5_    65     1.34896   125.15672    14.60070
   74    72 S   CT   _C15    82     1.51050   112.67969  -164.80397
   75    74 S   HC   _H37    83     1.09521   109.97859   -59.18346
   76    74 S   HC   _H38    84     1.09301   113.59487  -179.51302
   77    74 S   HC   _H39    85     1.09524   110.12986    60.24817
   78    73 S   CT   _C8_    66     1.51377   125.23590  -179.65965
   79    78 S   HC   _H25    67     1.09469   111.03335    66.62944
   80    78 S   HC   _H26    68     1.09473   111.32122   -56.29910
   81    78 S   CM   _C4_    69     1.49254   104.94062  -174.69363
   82    81 S   HC   _H24    70     1.08083   123.35622   177.73609
   83    81 S   CM   _C6_    71     1.33926   111.85748    -1.04193
   84    73 S   CT   _C11    72     1.52170   126.83641     4.20319
   85    84 S   HC   _H31    73     1.09858   108.39338    62.00662
   86    83 S   CT   _C14    78     1.48845   125.90144   177.28993
   87    86 S   HC   _H34    79     1.09387   110.82320   114.18825
   88    86 S   HC   _H35    80     1.09511   111.47156    -5.65822
   89    86 S   HC   _H36    81     1.09452   110.39849  -125.28291
  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  13   5   4   3
  15   2   1   1  11   4   3   2   7   3   2   1   9   5   4   9
   5   4  12   5   4  15   8  20   9   5   2   1   1  12   6   5
  12   6  10   4   3   5   1  12  13   5   2   1   1   8   5   4
   8   3   6   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51    52    53    54  
   47    48    49    50    51  
   48    49    50    51  
   49    50    51    52    53    54    55    56    58  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    62    65    58    59    60    61  
   53    54    55    56    58  
   54    55    56    58  
   55    56    57    62    63    64    67    84    65    66    70    58    59    60    61  
   56    57    62    65    58    59    60    61  
   57    62    63    64    67    68    69    72    73    83    84    85    65    66    70    71    58    59    60    61  
   62    63    64    67    84    65    66    70    58  
   59    60    61    62    65  
   60    61  
   61  
    0  
   63    64    67    68    69    72    73    84    65    66    70    74  
   64    67    68    69    72    65  
   67    68    69    72    65  
   66    70    71    86    67    72    73    78    81    83    84    85  
   70    71    73    83    84    85  
   68    69    72    73    78    84    74    75    76    77  
   69    72    73    74  
   72    73    74  
   71    73    83    84    85  
   84  
   73    78    79    80    81    83    84    85    74    75    76    77  
   78    79    80    81    82    83    84    85    86    74    75    76    77  
   75    76    77    78    84  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    86  
   84    85    86    87    88    89  
   85    86    87    88    89  
   86  
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   570.000  1.307
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   268.000  1.529
   56    57   340.000  1.090
   56    62   268.000  1.529
   56    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.510
   72    73   549.000  1.340
   72    74   317.000  1.510
   73    78   317.000  1.510
   73    84   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   317.000  1.510
   81    82   340.000  1.080
   81    83   549.000  1.340
   83    84   317.000  1.510
   83    86   317.000  1.510
   84    85   340.000  1.090
   84    65   268.000  1.529
   65    66   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   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  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    50.00000  109.50000
   33    45    47    37.50000  110.70000
   33    45    48    58.35000  112.70000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    45.00000  125.66300
   48    45    46    50.00000  109.50000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    58    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    62    58.35000  112.70000
   54    56    65    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    54    55    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    67    58.35000  112.70000
   56    65    84    58.35000  112.70000
   56    65    66    37.50000  110.70000
   56    65    70    50.00000  109.50000
   62    56    57    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    72    70.00000  112.02700
   64    62    63    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    37.50000  110.70000
   67    72    73    70.00000  124.00000
   67    72    74    65.00000  117.92700
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    73    78    70.00000  124.00000
   72    73    84    70.00000  124.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   73    78    79    35.00000  109.50000
   73    78    80    35.00000  109.50000
   73    78    81    70.00000  110.12100
   73    84    83    70.00000  110.12100
   73    84    85    35.00000  109.50000
   73    84    65    70.00000  112.02700
   78    81    82    35.00000  117.00000
   78    81    83    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    35.00000  109.50000
   81    78    80    35.00000  109.50000
   81    83    84    70.00000  124.00000
   81    83    86    70.00000  124.00000
   83    81    82    35.00000  120.00000
   83    84    85    35.00000  109.50000
   83    84    65    70.00000  112.02700
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   84    73    78    65.00000  117.92700
   84    65    66    37.50000  110.70000
   84    65    70    50.00000  109.50000
   65    56    57    37.50000  110.70000
   65    56    62    58.35000  112.70000
   65    84    85    37.50000  110.70000
   65    70    71    55.00000  108.50000
   70    65    66    35.00000  109.50000
   86    83    84    65.00000  117.92700
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   74    72    73    70.00000  124.00000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   58    54    55    37.50000  110.70000
   58    54    56    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   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
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.56750  1.0 1.0
   29    33    45    46  -0.07550 -1.0 2.0
   29    33    45    46   0.20000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.44750  1.0 1.0
   29    33    45    48  -0.17800 -1.0 2.0
   29    33    45    48   0.20200  1.0 3.0
   33    45    48    49   0.15000  1.0 3.0
   33    45    48    50   0.15000  1.0 3.0
   33    45    48    51   0.56750  1.0 1.0
   33    45    48    51  -0.07550 -1.0 2.0
   33    45    48    51   0.20000  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.62750  1.0 1.0
   37    33    45    46  -0.30950 -1.0 2.0
   37    33    45    46   0.27300  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48   0.56750  1.0 1.0
   37    33    45    48  -0.07550 -1.0 2.0
   37    33    45    48   0.20000  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.62750  1.0 1.0
   41    33    45    46  -0.30950 -1.0 2.0
   41    33    45    46   0.27300  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48   0.56750  1.0 1.0
   41    33    45    48  -0.07550 -1.0 2.0
   41    33    45    48   0.20000  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48    51    54   0.56750  1.0 1.0
   45    48    51    54  -0.07550 -1.0 2.0
   45    48    51    54   0.20000  1.0 3.0
   46    45    48    49   0.23400  1.0 3.0
   46    45    48    50   0.23400  1.0 3.0
   46    45    48    51   0.62750  1.0 1.0
   46    45    48    51  -0.30950 -1.0 2.0
   46    45    48    51   0.27300  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.56750  1.0 1.0
   48    51    54    56  -0.07550 -1.0 2.0
   48    51    54    56   0.20000  1.0 3.0
   48    51    54    58   0.56750  1.0 1.0
   48    51    54    58  -0.07550 -1.0 2.0
   48    51    54    58   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    62   0.56750  1.0 1.0
   51    54    56    62  -0.07550 -1.0 2.0
   51    54    56    62   0.20000  1.0 3.0
   51    54    56    65   0.56750  1.0 1.0
   51    54    56    65  -0.07550 -1.0 2.0
   51    54    56    65   0.20000  1.0 3.0
   51    54    58    59   0.15000  1.0 3.0
   51    54    58    60   0.15000  1.0 3.0
   51    54    58    61   0.15000  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    58   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    58   0.15000  1.0 3.0
   54    56    62    63   0.15000  1.0 3.0
   54    56    62    64   0.15000  1.0 3.0
   54    56    62    67   0.56750  1.0 1.0
   54    56    62    67  -0.07550 -1.0 2.0
   54    56    62    67   0.20000  1.0 3.0
   54    56    65    84   0.56750  1.0 1.0
   54    56    65    84  -0.07550 -1.0 2.0
   54    56    65    84   0.20000  1.0 3.0
   54    56    65    66   0.15000  1.0 3.0
   54    56    65    70   0.86500  1.0 1.0
   54    56    65    70  -0.17500 -1.0 2.0
   54    56    65    70   0.20800  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    62   0.15000  1.0 3.0
   55    54    56    65   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    61   0.15000  1.0 3.0
   56    54    58    59   0.15000  1.0 3.0
   56    54    58    60   0.15000  1.0 3.0
   56    54    58    61   0.15000  1.0 3.0
   56    62    67    68   0.15000  1.0 3.0
   56    62    67    69   0.15000  1.0 3.0
   56    62    67    72   0.34400  1.0 1.0
   56    62    67    72   0.09450 -1.0 2.0
   56    62    67    72   0.11100  1.0 3.0
   56    65    70    71  -0.11600  1.0 1.0
   56    65    70    71  -0.09450 -1.0 2.0
   56    65    70    71   0.21250  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    67   0.15000  1.0 3.0
   57    56    65    84   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    70   0.23400  1.0 3.0
   62    56    65    84   0.56750  1.0 1.0
   62    56    65    84  -0.07550 -1.0 2.0
   62    56    65    84   0.20000  1.0 3.0
   62    56    65    66   0.15000  1.0 3.0
   62    56    65    70   0.86500  1.0 1.0
   62    56    65    70  -0.17500 -1.0 2.0
   62    56    65    70   0.20800  1.0 3.0
   62    67    72    73   0.09850  1.0 1.0
   62    67    72    73   0.15250 -1.0 2.0
   62    67    72    73  -0.50650  1.0 3.0
   62    67    72    74   0.46850  1.0 1.0
   62    67    72    74   0.08550 -1.0 2.0
   62    67    72    74   0.09800  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    72   0.15000  1.0 3.0
   67    72    73    78   7.00000 -1.0 2.0
   67    72    73    84   7.00000 -1.0 2.0
   67    72    74    75   0.34800  1.0 3.0
   67    72    74    76   0.34800  1.0 3.0
   67    72    74    77   0.34800  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    74   0.34800  1.0 3.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    74   0.34800  1.0 3.0
   72    73    78    79   0.00000  1.0 1.0
   72    73    78    80   0.00000  1.0 1.0
   72    73    78    81  -0.28300  1.0 1.0
   72    73    78    81   0.26700 -1.0 2.0
   72    73    78    81  -0.63300  1.0 3.0
   72    73    84    83  -0.28300  1.0 1.0
   72    73    84    83   0.26700 -1.0 2.0
   72    73    84    83  -0.63300  1.0 3.0
   72    73    84    85   0.00000  1.0 1.0
   72    73    84    65   0.09850  1.0 1.0
   72    73    84    65   0.15250 -1.0 2.0
   72    73    84    65  -0.50650  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    74    77   0.00000  1.0 1.0
   73    78    81    82   0.00000  1.0 1.0
   73    78   -81    83  -0.28300  1.0 1.0
   73    78   -81    83   0.26700 -1.0 2.0
   73    78   -81    83  -0.63300  1.0 3.0
   73    84    65    56   0.34400  1.0 1.0
   73    84    65    56   0.09450 -1.0 2.0
   73    84    65    56   0.11100  1.0 3.0
   73    84    65    66   0.15000  1.0 3.0
   73    84    65    70   1.05650  1.0 1.0
   73    84    65    70   0.15600 -1.0 2.0
   73    84    65    70   0.53150  1.0 3.0
   78    73   -84    83   0.09700  1.0 1.0
   78    73   -84    83   0.15600 -1.0 2.0
   78    73   -84    83  -0.50800  1.0 3.0
   78    73    84    85   0.34800  1.0 3.0
   78    73    84    65   0.46850  1.0 1.0
   78    73    84    65   0.08550 -1.0 2.0
   78    73    84    65   0.09800  1.0 3.0
   78    81   -83    84   7.00000 -1.0 2.0
   78    81    83    86   7.00000 -1.0 2.0
   79    78    81    82   0.33100  1.0 3.0
   79    78    81    83   0.00000  1.0 1.0
   80    78    81    82   0.33100  1.0 3.0
   80    78    81    83   0.00000  1.0 1.0
   81    83   -84    73  -0.28300  1.0 1.0
   81    83   -84    73   0.26700 -1.0 2.0
   81    83   -84    73  -0.63300  1.0 3.0
   81    83    84    85   0.00000  1.0 1.0
   81    83    84    65   0.09850  1.0 1.0
   81    83    84    65   0.15250 -1.0 2.0
   81    83    84    65  -0.50650  1.0 3.0
   81    83    86    87   0.00000  1.0 1.0
   81    83    86    88   0.00000  1.0 1.0
   81    83    86    89   0.00000  1.0 1.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    86   7.00000 -1.0 2.0
   83    84    65    56   0.34400  1.0 1.0
   83    84    65    56   0.09450 -1.0 2.0
   83    84    65    56   0.11100  1.0 3.0
   83    84    65    66   0.15000  1.0 3.0
   83    84    65    70   1.05650  1.0 1.0
   83    84    65    70   0.15600 -1.0 2.0
   83    84    65    70   0.53150  1.0 3.0
   84    73    78    79   0.34800  1.0 3.0
   84    73    78    80   0.34800  1.0 3.0
   84    73   -78    81   0.09700  1.0 1.0
   84    73   -78    81   0.15600 -1.0 2.0
   84    73   -78    81  -0.50800  1.0 3.0
   84    83    86    87   0.34800  1.0 3.0
   84    83    86    88   0.34800  1.0 3.0
   84    83    86    89   0.34800  1.0 3.0
   84    65    70    71  -0.11600  1.0 1.0
   84    65    70    71  -0.09450 -1.0 2.0
   84    65    70    71   0.21250  1.0 3.0
   85    84    65    56   0.15000  1.0 3.0
   85    84    65    66   0.15000  1.0 3.0
   85    84    65    70   0.23400  1.0 3.0
   65    56    62    63   0.15000  1.0 3.0
   65    56    62    64   0.15000  1.0 3.0
   65    56    62    67   0.56750  1.0 1.0
   65    56    62    67  -0.07550 -1.0 2.0
   65    56    62    67   0.20000  1.0 3.0
   66    65    70    71   0.19450  1.0 3.0
   86    83    84    73   0.09700  1.0 1.0
   86    83    84    73   0.15600 -1.0 2.0
   86    83    84    73  -0.50800  1.0 3.0
   86    83    84    85   0.34800  1.0 3.0
   86    83    84    65   0.46850  1.0 1.0
   86    83    84    65   0.08550 -1.0 2.0
   86    83    84    65   0.09800  1.0 3.0
   74    72    73    78   7.00000 -1.0 2.0
   74    72    73    84   7.00000 -1.0 2.0
   58    54    56    57   0.15000  1.0 3.0
   58    54    56    62   0.56750  1.0 1.0
   58    54    56    62  -0.07550 -1.0 2.0
   58    54    56    62   0.20000  1.0 3.0
   58    54    56    65   0.56750  1.0 1.0
   58    54    56    65  -0.07550 -1.0 2.0
   58    54    56    65   0.20000  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
   67    74    72    73   1.10000 -1.0 2.0
   78    84    73    72   1.10000 -1.0 2.0
   78    82    81    83   1.10000 -1.0 2.0
   84    86    83    81   1.10000 -1.0 2.0
END
