* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    29.22627    93.54970   -24.64752
    2     1 S   H    _HN1     2     1.02952    87.24660    13.06162
    3     1 S   H    _H1_     3     1.02831    20.18950  -177.79504
    4     1 S   H    _H2_     4     1.02784   111.95474   -95.65043
    5     1 S   CT   _CA1     5     1.50113   123.16591   125.73521
    6     5 S   HC   _HA1     6     1.09574   105.20042    77.10949
    7     5 S   CO3  _C1_     7     1.53793   112.46380   -43.13955
    8     7 S   O2Z  _O11     8     1.26373   115.00282   -42.21585
    9     7 S   O2Z  _O12     9     1.26240   114.94990   136.94007
   10     5 S   CT   _CB1    10     1.53087   107.43387  -164.88415
   11    10 S   HC   HB11    11     1.09833   109.39265   -49.58384
   12    10 S   HC   HB12    12     1.09818   110.44062    67.02756
   13    10 S   CT   _CG1    13     1.52998   112.60059  -170.56162
   14    13 S   HC   HG11    14     1.09582   110.61630   -65.24836
   15    13 S   HC   HG12    15     1.09669   109.81514    53.99648
   16    13 S   C    _CD1    16     1.51784   112.23329   174.46048
   17    16 S   O    _OE1    17     1.22751   123.27618     6.16198
   18    16 S   N    _N2_    18     1.38695   111.66627  -174.01313
   19    18 S   H    _HN2    19     1.01580   119.06901     1.30656
   20    18 S   CT1  _CA2    20     1.46112   123.22544   178.12007
   21    20 S   HC   _HA2    21     1.09753   109.19519    -0.12820
   22    20 S   C    _C2_    22     1.53484   108.74851  -115.47017
   23    22 S   O    _O2_    23     1.23050   122.29921  -148.69260
   24    20 S   CT   _CB2    32     1.53369   111.98173   121.59351
   25    24 S   HC   HB21    33     1.09571   110.56377    58.86923
   26    24 S   HC   HB22    34     1.09445   109.46522   177.69327
   27    22 S   N    _N3_    24     1.38334   113.63804    38.84898
   28    27 S   H    _HN3    25     1.01601   119.54660    -3.63814
   29    24 S   S    _SG2    35     1.82812   111.36795   -61.65775
   30    27 S   CT   _CA3    26     1.45280   123.20150   176.95605
   31    30 S   HC   HA31    27     1.09551   107.54152   -63.56834
   32    30 S   HC   HA32    28     1.09556   107.94521    52.85786
   33    29 S   CT   _C14    36     1.85068   100.12482  -166.95328
   34    33 S   HC   _H3_    37     1.10108   102.23129   -43.69994
   35    30 S   CO3  _C3_    29     1.52950   114.08413   174.81499
   36    35 S   O2Z  _O31    30     1.26375   116.06307    -1.09146
   37    35 S   O2Z  _O32    31     1.26428   114.41253   178.97168
   38    33 S   CM   _C4_    38     1.52854   111.54384    68.83839
   39    38 S   HC   _H32    39     1.09244   110.57653  -132.61749
   40    33 S   CT   _C16    56     1.58815   111.73659  -157.07771
   41    40 S   OM   _O22    57     1.32680   108.55560   160.99204
   42    40 S   HC   _H39    58     1.10193   104.80717    36.60649
   43    38 S   CM   _C6_    40     1.35342   132.12139    46.28031
   44    43 S   CT   _C15    41     1.51488   127.48875     3.55512
   45    44 S   HC   _H38    42     1.09020   111.13400     7.92833
   46    43 S   CO4  _C11    83     1.49356   114.00247  -178.93284
   47    46 S   O    _O24    84     1.22273   124.31540   -37.92451
   48    44 S   CT   _C18    43     1.55873   117.29876   130.74062
   49    48 S   HC   _H41    44     1.09705   109.40032    76.06717
   50    44 S   OH   _O28    81     1.43460   108.28782  -106.48872
   51    50 S   HO   _H55    82     0.97283   107.26393    60.36126
   52    46 S   OS   _O29    85     1.35835   109.57178   142.03113
   53    48 S   CT   _C17    45     1.54719   115.56336   -47.32131
   54    53 S   HC   _H40    46     1.09875   108.73250    60.67581
   55    48 S   OS   _O30    66     1.45622   106.68686  -166.07736
   56    52 S   CT   _C24    86     1.43017   115.38671   179.41785
   57    56 S   HC   _H52    87     1.09325   108.09300  -179.81443
   58    56 S   HC   _H53    88     1.09419   110.30603    61.46697
   59    56 S   HC   _H54    89     1.09426   110.26254   -61.15968
   60    53 S   CM   _C8_    47     1.49660   117.52735  -179.94065
   61    55 S   CO4  _C12    67     1.35935   118.59085   -93.46136
   62    61 S   O    _O25    68     1.22240   126.98056    -4.39908
   63    60 S   CO4  _C9_    48     1.48216   107.86007   152.67198
   64    63 S   O    _O23    49     1.21749   127.01001   167.33452
   65    60 S   CM   _C10    63     1.33567   130.53900   -26.00891
   66    65 S   HC   _H34    64     1.08438   121.38272    -1.02965
   67    65 S   HC   _H35    65     1.08538   121.54584   179.20058
   68    61 S   C3T  _C20    69     1.48443   111.72535   176.79295
   69    63 S   OS   _O26    50     1.36607   107.04943   -11.28605
   70    68 S   C3T  _C19    70     1.52064   118.87629   -96.69515
   71    70 S   HC   _H42    71     1.08202   118.80441  -149.67340
   72    68 S   CT   _C23    77     1.49952   118.74674   106.67089
   73    72 S   HC   _H49    78     1.09525   112.07032  -175.82683
   74    72 S   HC   _H50    79     1.09461   110.17448    63.89000
   75    72 S   HC   _H51    80     1.09487   110.26075   -55.58987
   76    53 S   CT   _C13    51     1.53440   115.98900   -64.06072
   77    76 S   HC   _H36    52     1.09450   111.58320   -44.79050
   78    68 S   O3T  _O27    72     1.44169   114.94491   -31.34979
   79    70 S   CT   _C22    73     1.48861   123.09524     2.78172
   80    79 S   HC   _H46    74     1.09436   112.49326    40.78392
   81    79 S   HC   _H47    75     1.09412   110.16825   -80.29179
   82    79 S   HC   _H48    76     1.09461   109.96898   160.68320
   83    76 S   CM   _C5_    53     1.49845   110.35741    81.02441
   84    83 S   HC   _H33    54     1.08978   113.63971    51.24751
   85    83 S   CM   _C7_    55     1.35242   127.19763  -117.73522
   86    85 S   CT   _C21    59     1.51062   122.72150   -15.07897
   87    86 S   HC   _H43    60     1.09306   111.06154   103.05427
   88    86 S   HC   _H44    61     1.09299   112.92278   -18.76451
   89    86 S   HC   _H45    62     1.09563   110.14167  -136.80241
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  13   4  11   4   3  12  14   7   8   2  16
   7   3   1   4  15   8   8   3   2   1   1   9  10   4   8   3
   4   1   1  11   5  10   6   5   3   2   1   5   3   4   3   2
   1   1   6   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    85    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    83    85    40    41    42    86    46  
   38    39    43    85    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    48    85    40    41    42    50    46    47    52  
   43    44    40    46  
   41    42    86    87    88    89    43    76    83    84    85  
   42    86    83    85  
   86    83    85  
   44    45    48    49    53    55    50    51    46    47    52    56  
   45    48    49    53    54    60    76    55    61    50    51    46    47    52  
   48    49    53    55    50    51    46  
   47    52    56    57    58    59    48    50  
   52    56  
   49    53    54    60    63    69    76    77    83    65    55    61    62    68    50    51  
   53    54    60    76    55    61    50  
   51    53    55  
    0  
   56    57    58    59  
   54    60    63    64    69    76    77    83    84    85    65    66    67    55    61  
   60    63    69    76    77    83    65    55  
   61    62    68    70    78    72    60    76  
   57    58    59  
   58    59  
   59  
    0  
   63    64    69    76    77    83    65    66    67  
   62    68    70    71    78    79    72    73    74    75  
   68    70    78    72  
   64    69    76    77    83    65    66    67  
   69    76    65  
   66    67    69    76  
   67  
    0  
   70    71    78    79    80    81    82    72    73    74    75  
   76    77    83    84    85  
   71    78    79    80    81    82    72    73    74    75  
   78    79    80    81    82    72  
   73    74    75    78    79  
   74    75    78  
   75    78  
   78  
   77    83    84    85    86  
   83    84    85  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89  
   85    86  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   317.000  1.510
   43    46   320.000  1.462
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    53   268.000  1.529
   48    55   320.000  1.410
   53    54   340.000  1.090
   53    60   317.000  1.510
   53    76   268.000  1.529
   60    63   320.000  1.462
   60    65   549.000  1.340
   63    64   570.000  1.229
   63    69   214.000  1.327
   69    76   320.000  1.410
   76    77   340.000  1.090
   76    83   317.000  1.510
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    40   317.000  1.510
   85    86   317.000  1.510
   40    41   570.000  1.307
   40    42   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   65    66   340.000  1.080
   65    67   340.000  1.080
   55    61   214.000  1.327
   61    62   570.000  1.229
   61    68   290.000  1.496
   68    70   260.000  1.509
   68    78   335.000  1.432
   68    72   275.000  1.510
   70    71   340.000  1.088
   70    78   335.000  1.432
   70    79   275.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   50    51   553.000  0.945
   46    47   570.000  1.229
   46    52   214.000  1.327
   52    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    85    70.00000  112.02700
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    70.00000  124.00000
   38    43    46    65.00000  118.96000
   43    38    39    35.00000  120.00000
   43    44    45    35.00000  109.50000
   43    44    48    70.00000  112.02700
   43    44    50    90.00000  110.39200
   43    46    47    80.00000  123.72100
   43    46    52    90.00000  111.29400
   44    48    49    37.50000  110.70000
   44    48    53    58.35000  112.70000
   44    48    55    50.00000  109.50000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54    37.50000  110.70000
   48    53    60    70.00000  112.02700
   48    53    76    58.35000  112.70000
   48    55    61    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    60    63    65.00000  116.34900
   53    60    65    70.00000  124.00000
   53    76    69    50.00000  109.50000
   53    76    77    37.50000  110.70000
   53    76    83    70.00000  112.02700
   60    53    54    35.00000  109.50000
   60    63    64    80.00000  123.72100
   60    63    69    90.00000  111.29400
   60    65    66    35.00000  120.00000
   60    65    67    35.00000  120.00000
   63    69    76    83.00000  116.90000
   69    63    64    83.00000  123.40000
   69    76    77    35.00000  109.50000
   69    76    83    85.00000  110.90400
   76    53    54    37.50000  110.70000
   76    53    60    70.00000  112.02700
   76    83    84    35.00000  117.00000
   76    83    85    70.00000  124.00000
   83    76    77    35.00000  109.50000
   83    85    40    70.00000  124.00000
   83    85    86    70.00000  124.00000
   85    83    84    35.00000  120.00000
   85    40    41    85.00000  110.90400
   85    40    42    35.00000  109.50000
   85    86    87    35.00000  109.50000
   85    86    88    35.00000  109.50000
   85    86    89    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   42    40    41    45.00000  125.66300
   86    85    40    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
   65    60    63    65.00000  118.96000
   67    65    66    35.00000  117.00000
   55    48    49    35.00000  109.50000
   55    48    53    50.00000  109.50000
   55    61    62    83.00000  123.40000
   55    61    68    81.00000  111.40000
   61    68    70    65.00000  117.18000
   61    68    78    80.00000  114.91000
   61    68    72    63.00000  111.10000
   68    61    62    75.00000  121.36600
   68    70    71    37.50000  117.20000
   68    70    78    15.00000   60.43100
   68    70    79    60.00000  120.94000
   68    78    70    15.00000   59.14900
   68    72    73    45.00000  109.38400
   68    72    74    45.00000  109.38400
   68    72    75    45.00000  109.38400
   70    79    80    45.00000  109.38400
   70    79    81    45.00000  109.38400
   70    79    82    45.00000  109.38400
   78    68    70    15.00000   60.43100
   78    70    71    50.00000  114.27700
   79    70    71    40.00000  115.04500
   79    70    78    80.00000  116.47100
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   72    68    70    60.00000  120.94000
   72    68    78    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    43    44    65.00000  116.34900
   46    52    56    83.00000  116.90000
   52    46    47    83.00000  123.40000
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    85   0.56750  1.0 1.0
   29    33    40    85  -0.07550 -1.0 2.0
   29    33    40    85   0.20000  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    46   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    85   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    85   0.31000  1.0 1.0
   38    33    40    85   0.14700 -1.0 2.0
   38    33    40    85   0.07550  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    45   0.00000  1.0 1.0
   38    43    44    48   0.09850  1.0 1.0
   38    43    44    48   0.15250 -1.0 2.0
   38    43    44    48  -0.50650  1.0 3.0
   38    43    44    50   0.67800  1.0 1.0
   38    43    44    50   0.47050 -1.0 2.0
   38    43    44    50  -0.62500  1.0 3.0
   38    43    46    47   1.00000 -1.0 2.0
   38    43    46    52  -0.56150  1.0 1.0
   38    43    46    52   2.19150 -1.0 2.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    46   7.00000 -1.0 2.0
   43    44    48    49   0.15000  1.0 3.0
   43    44    48    53   0.34400  1.0 1.0
   43    44    48    53   0.09450 -1.0 2.0
   43    44    48    53   0.11100  1.0 3.0
   43    44    48    55   0.61850  1.0 1.0
   43    44    48    55  -0.22750 -1.0 2.0
   43    44    48    55   0.15300  1.0 3.0
   43    44    50    51  -0.07800  1.0 1.0
   43    44    50    51  -0.21500 -1.0 2.0
   43    44    50    51  -0.03150  1.0 3.0
   43    46    52    56   2.00000 -1.0 2.0
   44    43    46    47  -0.64400  1.0 1.0
   44    43    46    47   0.26850 -1.0 2.0
   44    43    46    52  -0.15000  1.0 1.0
   44    43    46    52   0.89550 -1.0 2.0
   44    43    46    52  -0.06900  1.0 3.0
   44    48    53    54   0.15000  1.0 3.0
   44    48    53    60   0.34400  1.0 1.0
   44    48    53    60   0.09450 -1.0 2.0
   44    48    53    60   0.11100  1.0 3.0
   44    48    53    76   0.56750  1.0 1.0
   44    48    53    76  -0.07550 -1.0 2.0
   44    48    53    76   0.20000  1.0 3.0
   44    48    55    61  -0.25900  1.0 1.0
   44    48    55    61  -0.47000 -1.0 2.0
   44    48    55    61   0.11750  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   45    44    48    55   0.23400  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   48    53    60    63   0.09700  1.0 1.0
   48    53    60    63   0.15600 -1.0 2.0
   48    53    60    63  -0.50800  1.0 3.0
   48    53    60    65   0.09850  1.0 1.0
   48    53    60    65   0.15250 -1.0 2.0
   48    53    60    65  -0.50650  1.0 3.0
   48    53    76    69   0.62750  1.0 1.0
   48    53    76    69  -0.30950 -1.0 2.0
   48    53    76    69   0.27300  1.0 3.0
   48    53    76    77   0.15000  1.0 3.0
   48    53    76    83   0.34400  1.0 1.0
   48    53    76    83   0.09450 -1.0 2.0
   48    53    76    83   0.11100  1.0 3.0
   48    55    61    62   3.00000 -1.0 2.0
   48    55    61    68   1.63150  1.0 1.0
   48    55    61    68   2.92000 -1.0 2.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    60   0.15000  1.0 3.0
   49    48    53    76   0.15000  1.0 3.0
   49    48    55    61   0.08050  1.0 3.0
   53    48    55    61  -0.25900  1.0 1.0
   53    48    55    61  -0.47000 -1.0 2.0
   53    48    55    61   0.11750  1.0 3.0
   53    60    63    64  -0.64400  1.0 1.0
   53    60    63    64   0.26850 -1.0 2.0
   53    60   -63    69  -0.15000  1.0 1.0
   53    60   -63    69   0.89550 -1.0 2.0
   53    60   -63    69  -0.06900  1.0 3.0
   53    60    65    66   7.00000 -1.0 2.0
   53    60    65    67   7.00000 -1.0 2.0
   53    76    83    84   0.00000  1.0 1.0
   53    76    83    85   0.09850  1.0 1.0
   53    76    83    85   0.15250 -1.0 2.0
   53    76    83    85  -0.50650  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   54    53    60    65   0.00000  1.0 1.0
   54    53    76    69   0.23400  1.0 3.0
   54    53    76    77   0.15000  1.0 3.0
   54    53    76    83   0.15000  1.0 3.0
   60    53   -76    69   0.61850  1.0 1.0
   60    53   -76    69  -0.22750 -1.0 2.0
   60    53   -76    69   0.15300  1.0 3.0
   60    53    76    77   0.15000  1.0 3.0
   60    53    76    83   0.31000  1.0 1.0
   60    53    76    83   0.14700 -1.0 2.0
   60    53    76    83   0.07550  1.0 3.0
   60    63   -69    76   2.00000 -1.0 2.0
   63    60    65    66   7.00000 -1.0 2.0
   63    60    65    67   7.00000 -1.0 2.0
   63    69   -76    53  -0.25900  1.0 1.0
   63    69   -76    53  -0.47000 -1.0 2.0
   63    69   -76    53   0.11750  1.0 3.0
   63    69    76    77   0.08050  1.0 3.0
   63    69    76    83  -0.82050  1.0 1.0
   63    69    76    83   0.00600 -1.0 2.0
   63    69    76    83   0.04400  1.0 3.0
   64    63    69    76   3.00000 -1.0 2.0
   69    76    83    84   0.00000  1.0 1.0
   69    76    83    85   0.39000  1.0 1.0
   69    76    83    85  -0.05800 -1.0 2.0
   69    76    83    85  -0.55150  1.0 3.0
   76    53   -60    63   0.09700  1.0 1.0
   76    53   -60    63   0.15600 -1.0 2.0
   76    53   -60    63  -0.50800  1.0 3.0
   76    53    60    65   0.09850  1.0 1.0
   76    53    60    65   0.15250 -1.0 2.0
   76    53    60    65  -0.50650  1.0 3.0
   76    83    85    40   7.00000 -1.0 2.0
   76    83    85    86   7.00000 -1.0 2.0
   77    76    83    84   0.33100  1.0 3.0
   77    76    83    85   0.00000  1.0 1.0
   83    85    40    33   0.09850  1.0 1.0
   83    85    40    33   0.15250 -1.0 2.0
   83    85    40    33  -0.50650  1.0 3.0
   83    85    40    41   0.39000  1.0 1.0
   83    85    40    41  -0.05800 -1.0 2.0
   83    85    40    41  -0.55150  1.0 3.0
   83    85    40    42   0.00000  1.0 1.0
   83    85    86    87   0.00000  1.0 1.0
   83    85    86    88   0.00000  1.0 1.0
   83    85    86    89   0.00000  1.0 1.0
   84    83    85    40   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    85    86    87   0.34800  1.0 3.0
   40    85    86    88   0.34800  1.0 3.0
   40    85    86    89   0.34800  1.0 3.0
   86    85    40    33   0.46850  1.0 1.0
   86    85    40    33   0.08550 -1.0 2.0
   86    85    40    33   0.09800  1.0 3.0
   86    85    40    41   0.09700  1.0 1.0
   86    85    40    41   0.15600 -1.0 2.0
   86    85    40    41  -0.50800  1.0 3.0
   86    85    40    42   0.34800  1.0 3.0
   65    60    63    64   1.00000 -1.0 2.0
   65    60    63    69  -0.56150  1.0 1.0
   65    60    63    69   2.19150 -1.0 2.0
   55    48    53    54   0.23400  1.0 3.0
   55    48    53    60   0.61850  1.0 1.0
   55    48    53    60  -0.22750 -1.0 2.0
   55    48    53    60   0.15300  1.0 3.0
   55    48    53    76   0.62750  1.0 1.0
   55    48    53    76  -0.30950 -1.0 2.0
   55    48    53    76   0.27300  1.0 3.0
   55    61    68    70   0.36750  1.0 3.0
   55    61    68    78   0.40000  1.0 3.0
   55    61    68    72   0.36750  1.0 3.0
   61    68    70    71   0.15000  1.0 3.0
   61    68   -70    78  -0.09450  1.0 1.0
   61    68   -70    78  -1.12950 -1.0 2.0
   61    68   -70    78   0.54000  1.0 3.0
   61    68    70    79  -0.95700  1.0 1.0
   61    68    70    79  -0.18200 -1.0 2.0
   61    68    70    79   0.29450  1.0 3.0
   61    68   -78    70  -1.11000  1.0 1.0
   61    68   -78    70   0.50250 -1.0 2.0
   61    68   -78    70   0.47450  1.0 3.0
   61    68    72    73  -0.11250  1.0 3.0
   61    68    72    74  -0.11250  1.0 3.0
   61    68    72    75  -0.11250  1.0 3.0
   62    61    68    70   0.30150 -1.0 2.0
   62    61    68    78   0.30150 -1.0 2.0
   62    61    68    72   0.30150 -1.0 2.0
   68    70    79    80   0.15000  1.0 3.0
   68    70    79    81   0.15000  1.0 3.0
   68    70    79    82   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.15000  1.0 3.0
   71    70   -78    68   0.36800  1.0 3.0
   71    70    79    80   0.15000  1.0 3.0
   71    70    79    81   0.15000  1.0 3.0
   71    70    79    82   0.15000  1.0 3.0
   78    68   -70    71   0.23400  1.0 3.0
   78    68   -70    79   0.02550  1.0 1.0
   78    68   -70    79  -0.02600 -1.0 2.0
   78    68   -70    79   1.20400  1.0 3.0
   78    68    72    73   0.23400  1.0 3.0
   78    68    72    74   0.23400  1.0 3.0
   78    68    72    75   0.23400  1.0 3.0
   78    70    79    80   0.23400  1.0 3.0
   78    70    79    81   0.23400  1.0 3.0
   78    70    79    82   0.23400  1.0 3.0
   79    70   -78    68   0.06250  1.0 1.0
   79    70   -78    68  -0.01100 -1.0 2.0
   79    70   -78    68   0.28050  1.0 3.0
   72    68    70    71   0.15000  1.0 3.0
   72    68   -70    78   0.02550  1.0 1.0
   72    68   -70    78  -0.02600 -1.0 2.0
   72    68   -70    78   1.20400  1.0 3.0
   72    68    70    79   0.56750  1.0 1.0
   72    68    70    79  -0.07550 -1.0 2.0
   72    68    70    79   0.20000  1.0 3.0
   72    68   -78    70   0.06250  1.0 1.0
   72    68   -78    70  -0.01100 -1.0 2.0
   72    68   -78    70   0.28050  1.0 3.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    53   0.86500  1.0 1.0
   50    44    48    53  -0.17500 -1.0 2.0
   50    44    48    53   0.20800  1.0 3.0
   50    44    48    55   3.69350  1.0 1.0
   50    44    48    55  -1.82950 -1.0 2.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    48   0.09700  1.0 1.0
   46    43    44    48   0.15600 -1.0 2.0
   46    43    44    48  -0.50800  1.0 3.0
   46    43    44    50   0.09700  1.0 1.0
   46    43    44    50   0.15600 -1.0 2.0
   46    43    44    50  -0.50800  1.0 3.0
   46    52    56    57   0.08050  1.0 3.0
   46    52    56    58   0.08050  1.0 3.0
   46    52    56    59   0.08050  1.0 3.0
   47    46    52    56   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    43   1.10000 -1.0 2.0
   46    44    43    38   1.10000 -1.0 2.0
   53    63    60    65   1.10000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   76    84    83    85   1.10000 -1.0 2.0
   40    86    85    83   1.10000 -1.0 2.0
   66    67    65    60   1.10000 -1.0 2.0
   55    68    61    62  10.50000 -1.0 2.0
   43    52    46    47  10.50000 -1.0 2.0
END
