* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    165    247     472
    1     0 S   NP   _N1_     1    30.63800    93.72257   -27.15561
    2     1 S   H    _HN1     2     1.02786   128.59803  -111.30309
    3     1 S   H    _H1_     3     1.02951    88.14606     0.89175
    4     1 S   H    _H2_     4     1.02829    23.51141  -143.19136
    5     1 S   CT   _CA1     5     1.50129   106.03360   111.57926
    6     5 S   HC   _HA1     6     1.09572   105.16922    83.58806
    7     5 S   CO3  _C1_     7     1.53776   112.52683   -36.60035
    8     7 S   O2Z  _O11     8     1.26371   115.00186   -40.44480
    9     7 S   O2Z  _O12     9     1.26240   114.95218   138.62762
   10     5 S   CT   _CB1    10     1.53057   107.40842  -158.41469
   11    10 S   HC   HB11    11     1.09840   109.32920   -49.34837
   12    10 S   HC   HB12    12     1.09819   110.44829    67.23485
   13    10 S   CT   _CG1    13     1.53015   112.67181  -170.33568
   14    13 S   HC   HG11    14     1.09572   110.66395   -66.65678
   15    13 S   HC   HG12    15     1.09663   109.81253    52.66749
   16    13 S   C    _CD1    16     1.51732   112.06744   173.07219
   17    16 S   O    _OE1    17     1.22757   123.22133     7.86652
   18    16 S   N    _N2_    18     1.38711   111.83275  -172.08349
   19    18 S   H    _HN2    19     1.01571   119.09995     1.68028
   20    18 S   CT1  _CA2    20     1.45981   123.09383   177.74875
   21    20 S   HC   _HA2    21     1.09409   108.93921     5.87456
   22    20 S   C    _C2_    22     1.53520   109.15948  -108.53402
   23    22 S   O    _O2_    23     1.23056   122.23119  -147.37442
   24    20 S   CT   _CB2    32     1.53336   112.11936   128.19549
   25    24 S   HC   HB21    33     1.09673   109.39188    64.81817
   26    24 S   HC   HB22    34     1.09544   110.76571  -178.52767
   27    22 S   N    _N3_    24     1.38307   113.66877    40.53112
   28    27 S   H    _HN3    25     1.01565   119.64606    -3.58632
   29    24 S   S    _SG2    35     1.83293   115.43827   -54.68416
   30    27 S   CT   _CA3    26     1.45271   123.27329   176.55127
   31    30 S   HC   HA31    27     1.09550   107.58743   -62.74675
   32    30 S   HC   HA32    28     1.09553   107.91100    53.71011
   33    29 S   CT   _C15    36     1.85639   101.37767   -60.45119
   34    33 S   HC   _H8_    37     1.09224   103.96070    52.25226
   35    30 S   CO3  _C3_    29     1.52974   114.00628   175.69256
   36    35 S   O2Z  _O31    30     1.26388   116.04452     0.64771
   37    35 S   O2Z  _O32    31     1.26419   114.42457  -179.30733
   38    33 S   CM   _C16    38     1.52485   109.34614   -64.57209
   39    38 S   HC   _H17    39     1.09078   114.01339   -45.55090
   40    33 S   CT   _C14    56     1.58350   110.90008   165.63251
   41    40 S   OM   _O39    57     1.32448   111.73124    72.76977
   42    40 S   HC   _H7_    58     1.10230   104.66889   -55.13437
   43    38 S   CM   _C17    40     1.35292   127.38778   134.85305
   44    43 S   CT   _C18    41     1.51675   125.62533     2.31613
   45    44 S   HC   _H9_    42     1.09233   110.75762     4.37336
   46    43 S   CO4  _C19    83     1.49387   114.73393   179.93439
   47    46 S   O    _O37    84     1.22285   124.42313   -28.57965
   48    44 S   CT   _C9_    43     1.56025   117.69198   127.93096
   49    48 S   HC   _H4_    44     1.09704   108.88407    80.08478
   50    44 S   OH   _O36    81     1.43638   108.60064  -109.52397
   51    50 S   HO   _H18    82     0.97163   108.17345    46.58953
   52    46 S   OS   _O38    85     1.35839   109.80140   151.49464
   53    48 S   CT   _C10    45     1.54784   116.59437   -43.24277
   54    53 S   HC   _H5_    46     1.09874   108.73827    58.25747
   55    48 S   OS   _O35    66     1.45660   106.55697  -162.56803
   56    52 S   CT   _C20    86     1.43035   115.46380   179.36265
   57    56 S   HC   _H19    87     1.09325   108.08358  -179.77445
   58    56 S   HC   _H20    88     1.09418   110.30229    61.50987
   59    56 S   HC   _H21    89     1.09425   110.26442   -61.12844
   60    53 S   CM   _C23    47     1.49821   117.07758   177.26162
   61    55 S   CO4  _C8_    67     1.35933   118.66781   -92.69245
   62    61 S   O    _O34    68     1.22237   126.98481    -5.27641
   63    60 S   CO4  _C22    48     1.48182   107.96334   152.94126
   64    63 S   O    _O41    49     1.21748   127.03800   167.23638
   65    60 S   CM   _C24    63     1.33584   130.65573   -25.69645
   66    65 S   HC   _H25    64     1.08429   121.47290    -1.05351
   67    65 S   HC   _H26    65     1.08545   121.53926   179.17694
   68    61 S   C3T  _C6_    69     1.48451   111.71837   175.76543
   69    63 S   OS   _O40    50     1.36532   107.01993   -11.40686
   70    68 S   C3T  _C5_    70     1.52078   118.85189   -96.39540
   71    70 S   HC   _H3_    71     1.08201   118.82991  -149.71476
   72    68 S   CT   _C7_    77     1.49947   118.76454   106.97975
   73    72 S   HC   _H13    78     1.09523   112.06891  -175.84791
   74    72 S   HC   _H14    79     1.09460   110.17562    63.86978
   75    72 S   HC   _H15    80     1.09487   110.26056   -55.61121
   76    53 S   CT   _C11    51     1.53514   116.48312   -67.00328
   77    76 S   HC   _H6_    52     1.09407   111.63497   -44.32630
   78    68 S   O3T  _O33    72     1.44182   114.93780   -31.06506
   79    70 S   CT   _C4_    73     1.48868   123.10798     2.77192
   80    79 S   HC   _H10    74     1.09424   112.50690    39.58500
   81    79 S   HC   _H11    75     1.09413   110.15505   -81.44507
   82    79 S   HC   _H12    76     1.09461   109.97866   159.52238
   83    76 S   CM   _C12    53     1.49742   110.49044    81.79416
   84    83 S   HC   _H16    54     1.08976   113.51065    51.14856
   85    83 S   CM   _C13    55     1.35183   127.21926  -117.38046
   86    85 S   CT   _C21    59     1.51052   123.22233   -13.81033
   87    86 S   HC   _H22    60     1.09401   110.60090   105.76239
   88    86 S   HC   _H23    61     1.09230   113.31334   -16.08799
   89    86 S   HC   _H24    62     1.09561   109.96611  -134.55270
  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
    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
   36    30    35    37  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
