* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    161    239     454
    1     0 S   NP   _N1_     1    27.85381    95.44339   -24.69839
    2     1 S   H    _HN1     2     1.02957    77.58956     8.90918
    3     1 S   H    _H1_     3     1.02835    31.01462   170.48341
    4     1 S   H    _H2_     4     1.02776   109.14357   -96.43600
    5     1 S   CT   _CA1     5     1.50137   131.94052   115.28175
    6     5 S   HC   _HA1     6     1.09576   105.19822    86.08552
    7     5 S   CO3  _C1_     7     1.53767   112.35014   -34.07463
    8     7 S   O2Z  _O11     8     1.26365   114.98898   -43.97512
    9     7 S   O2Z  _O12     9     1.26230   114.92280   135.03947
   10     5 S   CT   _CB1    10     1.53087   107.41411  -156.02999
   11    10 S   HC   HB11    11     1.09829   109.27913   -50.49944
   12    10 S   HC   HB12    12     1.09815   110.45098    66.03691
   13    10 S   CT   _CG1    13     1.53034   112.70665  -171.56243
   14    13 S   HC   HG11    14     1.09592   110.52930   -65.45989
   15    13 S   HC   HG12    15     1.09660   109.88578    53.75782
   16    13 S   C    _CD1    16     1.51852   112.25067   174.09435
   17    16 S   O    _OE1    17     1.22762   123.26798     2.44936
   18    16 S   N    _N2_    18     1.38574   111.77885  -177.55439
   19    18 S   H    _HN2    19     1.01565   119.01629     4.17204
   20    18 S   CT1  _CA2    20     1.45825   122.78712   177.18408
   21    20 S   HC   _HA2    21     1.09733   108.94779    24.34016
   22    20 S   C    _C2_    22     1.52949   107.01935   -92.63999
   23    22 S   O    _O2_    23     1.22969   123.07012   -26.44432
   24    20 S   CT   _CB2    32     1.53234   112.24753   147.58769
   25    24 S   HC   HB21    33     1.09459   109.97275    54.38573
   26    24 S   HC   HB22    34     1.09474   109.78335   173.08602
   27    22 S   N    _N3_    24     1.38493   112.52017   156.33311
   28    27 S   H    _HN3    25     1.01653   120.35426    -2.32515
   29    24 S   S    _SG2    35     1.82723   110.92142   -67.40350
   30    27 S   CT   _CA3    26     1.45358   122.53351   178.53233
   31    30 S   HC   HA31    27     1.09566   107.87686   -54.60722
   32    30 S   HC   HA32    28     1.09561   107.56365    61.75326
   33    29 S   CT   _C12    36     1.86197   101.36969   168.65755
   34    30 S   CO3  _C3_    29     1.52902   114.26813  -176.51659
   35    34 S   O2Z  _O31    30     1.26345   116.03467     0.92936
   36    34 S   O2Z  _O32    31     1.26431   114.42346  -179.13340
   37    33 S   CM   _C8_    37     1.52406   107.10960   175.94856
   38    33 S   CT   _C13    83     1.53306   110.88822    51.52433
   39    38 S   HC   _H15    84     1.09553   111.57840   -72.48829
   40    38 S   HC   _H16    85     1.09631   111.61264   168.39727
   41    38 S   HC   _H17    86     1.09559   111.96063    48.47456
   42    37 S   CMA  _C9_    38     1.35080   112.57406    99.22317
   43    42 S   OM   _O35    39     1.25731   135.34452  -178.87726
   44    37 S   CT   _C7_    72     1.50792   122.28323   -78.16920
   45    44 S   HC   _H11    73     1.09774   109.65807   148.55955
   46    44 S   HC   _H12    74     1.09332   109.56641    33.87372
   47    42 S   CT   _C10    40     1.51312   110.10934     0.24066
   48    47 S   HC   _H13    41     1.09643   112.53359   137.03115
   49    47 S   HC   _H14    42     1.09773   109.87614  -101.37955
   50    44 S   CM   _C6_    75     1.50317   112.36667   -91.97379
   51    50 S   HC   _H10    76     1.08992   115.12911   -56.95628
   52    33 S   CT   _C11    43     1.55165   110.63033   -74.73406
   53    52 S   HC   _H3_    44     1.09549   112.91994    34.61088
   54    50 S   CM   _C5_    77     1.34201   127.99520   124.12570
   55    54 S   HC   _H9_    78     1.08870   117.11101   179.62570
   56    52 S   OS   _O33    45     1.44882   109.43940   155.24010
   57    54 S   CT   _C4_    79     1.49279   127.90700    -0.24945
   58    57 S   HC   _H6_    80     1.09449   109.65697  -119.50756
   59    57 S   HC   _H7_    81     1.09164   113.62670     1.32884
   60    57 S   HC   _H8_    82     1.09453   109.63101   121.96276
   61    56 S   CO4  _C14    46     1.35874   117.55607  -164.67140
   62    61 S   O    _O34    47     1.22226   126.97074     2.16447
   63    61 S   C3T  _C15    48     1.47959   110.92307  -179.55150
   64    63 S   HC   _H4_    49     1.08694   112.51484   -85.04131
   65    63 S   C3T  _C16    50     1.51503   119.53801   132.21899
   66    65 S   HC   _H5_    51     1.08702   116.51815    -3.71642
   67    63 S   C3T  _C17    52     1.52081   121.64350    61.16064
   68    65 S   CM   _C20    61     1.47038   118.98203   137.09251
   69    68 S   HC   _H24    62     1.08888   115.08392   -28.91204
   70    67 S   CT   _C18    53     1.51039   120.29635     3.31977
   71    70 S   HC   _H18    54     1.09503   110.42360   -81.64718
   72    70 S   HC   _H19    55     1.09520   110.12822   158.93635
   73    70 S   HC   _H20    56     1.09484   112.45174    39.17808
   74    67 S   CT   _C19    57     1.51001   116.69919  -140.04389
   75    74 S   HC   _H21    58     1.09532   110.09287    90.11838
   76    74 S   HC   _H22    59     1.09502   112.63467   -29.65656
   77    74 S   HC   _H23    60     1.09496   110.36569  -150.53616
   78    68 S   CM   _C21    63     1.34711   127.30823   151.94800
   79    78 S   CT   _C22    64     1.50325   121.23018   179.83098
   80    79 S   HC   _H25    65     1.09490   110.23792   120.16413
   81    79 S   HC   _H26    66     1.09488   110.26241  -120.01476
   82    79 S   HC   _H27    67     1.09506   112.33222     0.09691
   83    78 S   CT   _C23    68     1.50265   123.70365    -0.25717
   84    83 S   HC   _H28    69     1.09500   110.13957   121.45977
   85    83 S   HC   _H29    70     1.09495   110.11915  -118.99984
   86    83 S   HC   _H30    71     1.09369   113.00582     1.31908
  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  12   3   7   3   2   1   3   2   1   1   8   7   3
   2   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    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    83  
   67    70    74    68    69    78  
   70    71    72    73    74    75    76    77    68    69    78  
   69    78    79    80    81    82    83    84    85    86    70    74  
   78    79    83  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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   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   317.000  1.510
   78    83   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    70.00000  124.00000
   68    78    83    70.00000  124.00000
   78    68    69    35.00000  120.00000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    35.00000  109.50000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    78    79    65.00000  117.92700
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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    83   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   0.00000  1.0 1.0
   68    78    79    81   0.00000  1.0 1.0
   68    78    79    82   0.00000  1.0 1.0
   68    78    83    84   0.00000  1.0 1.0
   68    78    83    85   0.00000  1.0 1.0
   68    78    83    86   0.00000  1.0 1.0
   69    68    78    79   7.00000 -1.0 2.0
   69    68    78    83   7.00000 -1.0 2.0
   79    78    83    84   0.34800  1.0 3.0
   79    78    83    85   0.34800  1.0 3.0
   79    78    83    86   0.34800  1.0 3.0
   83    78    79    80   0.34800  1.0 3.0
   83    78    79    81   0.34800  1.0 3.0
   83    78    79    82   0.34800  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
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  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    83    78    68  15.00000 -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
