* LIGAND DATABASE FILE (OPLS2005)
*
001      84    88    164    264     482
    1     0 S   NP   _N1_     1    28.84886    96.41930   -24.70624
    2     1 S   H    _HN1     2     1.02785   111.21663   -82.77551
    3     1 S   H    _H1_     3     1.02950    68.05889    19.23217
    4     1 S   H    _H2_     4     1.02828    40.23306  -175.72163
    5     1 S   CT   _CA1     5     1.50111   134.16410   116.85485
    6     5 S   HC   _HA1     6     1.09572   105.19601    98.85093
    7     5 S   CO3  _C1_     7     1.53793   112.47801   -21.38733
    8     7 S   O2Z  _O11     8     1.26372   115.00764   -42.09843
    9     7 S   O2Z  _O12     9     1.26241   114.95093   137.05181
   10     5 S   CT   _CB1    10     1.53081   107.42197  -143.15252
   11    10 S   HC   HB11    11     1.09832   109.38405   -49.61489
   12    10 S   HC   HB12    12     1.09813   110.44014    67.00137
   13    10 S   CT   _CG1    13     1.52984   112.59956  -170.59203
   14    13 S   HC   HG11    14     1.09584   110.61797   -65.46830
   15    13 S   HC   HG12    15     1.09670   109.79397    53.75988
   16    13 S   C    _CD1    16     1.51799   112.25634   174.22504
   17    16 S   O    _OE1    17     1.22728   123.27862     6.37581
   18    16 S   N    _N2_    18     1.38633   111.61791  -173.66649
   19    18 S   H    _HN2    19     1.01573   118.98775     1.81596
   20    18 S   CT1  _CA2    20     1.46259   123.50070   178.08889
   21    20 S   HC   _HA2    21     1.09740   109.29330     4.09739
   22    20 S   C    _C2_    22     1.53607   108.93355  -111.40036
   23    22 S   O    _O2_    23     1.23061   122.30304  -150.54084
   24    20 S   CT   _CB2    32     1.53346   111.34625   126.00565
   25    24 S   HC   HB21    33     1.09550   109.85559    55.57446
   26    24 S   HC   HB22    34     1.09439   110.05122   174.90484
   27    22 S   N    _N3_    24     1.38341   113.80778    37.04900
   28    27 S   H    _HN3    25     1.01563   119.55515    -3.42531
   29    24 S   S    _SG2    35     1.82832   111.16480   -65.27599
   30    27 S   CT   _CA3    26     1.45272   123.21996   177.09108
   31    30 S   HC   HA31    27     1.09549   107.52457   -64.41068
   32    30 S   HC   HA32    28     1.09557   107.97588    52.03078
   33    29 S   CT   _C20    36     1.87194   100.14770   168.76942
   34    33 S   HC   _H3_    37     1.09188   102.90129   -51.53811
   35    30 S   CO3  _C3_    29     1.52954   114.07502   174.03149
   36    35 S   O2Z  _O31    30     1.26377   116.07808    -0.18557
   37    35 S   O2Z  _O32    31     1.26429   114.40943   179.86294
   38    33 S   CM   _C12    38     1.54821   108.01402    66.98478
   39    38 S   NA   _N22    39     1.41410   111.06363    68.39798
   40    38 S   CMA  _C13    78     1.36772   122.82771  -113.83427
   41    40 S   OM   _O24    79     1.27020   124.64345     5.23596
   42    39 S   C56A _C10    40     1.40109   131.87651  -138.34159
   43    39 S   CR3  _C11    51     1.37204   120.57539    33.28637
   44    40 S   OS   _O25    80     1.41859   111.74398  -170.30243
   45    42 S   CA   _C7_    41     1.40779   131.51991    -2.03298
   46    45 S   HA   _H30    42     1.08470   121.63416    -0.79377
   47    43 S   CT   _C19    52     1.49309   123.86021    10.57470
   48    47 S   HC   _H41    53     1.10182   104.40035    90.53464
   49    44 S   CT   _C23    81     1.42657   116.21128  -171.34392
   50    49 S   HC   _H46    82     1.09407   107.70954   176.44290
   51    49 S   HC   _H47    83     1.09512   111.05751    58.48838
   52    49 S   HC   _H48    84     1.09486   111.04187   -65.65697
   53    45 S   CA   _C5_    43     1.39813   118.94142   178.13051
   54    53 S   HA   _H28    44     1.08700   119.35043   179.20475
   55    33 S   CT   _C21    54     1.58963   114.65557  -168.27576
   56    53 S   CA   _C4_    45     1.38899   120.95857    -1.58881
   57    56 S   HA   _H27    46     1.08648   119.88502  -179.62518
   58    55 S   CT   _C16    55     1.55662   112.18891    40.68120
   59    58 S   HC   _H35    56     1.09523   111.57010    61.28290
   60    58 S   HC   _H36    57     1.09599   110.45766   -55.70390
   61    55 S   CT   _C24    71     1.58048   108.38118   161.38889
   62    61 S   HC   _H49    72     1.09749   109.26589    56.66799
   63    61 S   HC   _H50    73     1.09763   109.60802   171.58583
   64    56 S   CA   _C6_    47     1.39647   120.41254    -1.07247
   65    64 S   HA   _H29    48     1.08649   119.79938  -177.78150
   66    58 S   CT   _C15    58     1.53107   113.00779  -173.99142
   67    66 S   HC   _H33    59     1.09717   108.31956   166.73340
   68    66 S   HC   _H34    60     1.09620   110.05880   -77.56268
   69    61 S   CT   _C22    74     1.52550   117.12621   -66.39446
   70    69 S   HC   _H43    75     1.09312   111.81717   -62.94371
   71    69 S   HC   _H44    76     1.09559   109.40351   178.68716
   72    69 S   HC   _H45    77     1.09189   112.53198    59.75211
   73    42 S   C56B _C8_    49     1.40879   107.80941   172.55047
   74    66 S   CT   _C18    61     1.53411   113.20682    45.15874
   75    74 S   HC   _H39    62     1.09713   108.08314   132.15439
   76    74 S   HC   _H40    63     1.09813   109.34945  -112.48179
   77    73 S   C5B  _C9_    50     1.41523   107.27610    -1.37956
   78    47 S   NT   _N23    64     1.48872   108.69250  -155.94431
   79    78 S   CT   _C17    65     1.48574   110.66926   -53.13989
   80    79 S   HC   _H37    66     1.09879   109.83761   -59.45065
   81    79 S   HC   _H38    67     1.09699   110.02288  -176.82362
   82    77 S   CT   _C14    68     1.48895   132.12469  -175.37242
   83    82 S   HC   _H31    69     1.09553   110.59520   -48.38134
   84    82 S   HC   _H32    70     1.09714   108.38051    69.45290
  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
  20   7   2   1   1  14  16   9   2  12  15   4   8   4  20   7
   3   2   1   1   6   3  17   5   3  13   6   5   8   5   4   4
   2   7   5   4   3   2   1   1   5   7   3   2   7   6   5   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    58    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    48    55    58    59    60    66    78    61    62    63    69    40    41    44  
   38    39    47    55    58    61    40  
   36    37  
   37  
    0  
   39    42    45    73    77    43    47    55    58    61    40    41    44    49  
   42    45    46    53    64    73    77    43    47    48    55    78    82    40    41    44  
   41    44    49    50    51    52    42    43    55  
   44    49  
   45    46    53    54    56    64    65    73    77    43    47    82  
   47    48    55    58    74    78    79    82    83    84    61    45    64    73    77  
   49    50    51    52  
   46    53    54    56    57    64    73    77  
   53    54    56    73  
   48    55    58    59    60    66    74    75    76    78    79    80    81    82    61    62    63    69    73    77  
   55    58    74    78    79    61    77  
   50    51    52  
   51    52  
   52  
    0  
   54    56    57    64    65    73  
   56    57    64  
   58    59    60    66    67    68    74    78    79    61    62    63    69    70    71    72    77  
   57    64    65    73    77  
   64    65    73  
   59    60    66    67    68    74    75    76    78    61    62    63    69  
   60    66    67    68    74    61  
   66    67    68    74    61  
   62    63    69    70    71    72    66    78  
   63    69    70    71    72  
   69    70    71    72  
   65    73    77    82  
   73    77  
   67    68    74    75    76    78    79  
   68    74    75    76    78  
   74    75    76    78  
   70    71    72  
   71    72  
   72  
    0  
   77    79    82    83    84  
   75    76    78    79    80    81    82  
   76    78    79  
   78    79  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   78   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    55   268.000  1.529
   38    39   370.000  1.395
   38    40   465.000  1.376
   39    42   428.000  1.380
   39    43   483.000  1.339
   42    45   469.000  1.400
   42    73   447.000  1.419
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    73   469.000  1.404
   73    77   380.000  1.440
   77    43   400.000  1.418
   77    82   295.000  1.494
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    78   382.000  1.448
   55    58   268.000  1.529
   55    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   382.000  1.448
   78    79   382.000  1.448
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    55    75.00000  111.63000
   33    38    39    70.00000  115.00000
   33    38    40    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    58    58.35000  112.70000
   33    55    61    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    42    65.00000  124.26000
   38    39    43    70.00000  114.00000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   39    42    45    70.00000  132.80000
   39    42    73    70.00000  104.40000
   39    43    77    75.00000  118.00000
   39    43    47    75.00000  115.74700
   42    45    46    35.00000  120.00000
   42    45    53    85.00000  120.00000
   42    73    64    85.00000  116.20000
   42    73    77    80.00000  107.43600
   45    53    54    35.00000  120.00000
   45    53    56    63.00000  120.00000
   53    45    46    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    64    65    35.00000  120.00000
   56    64    73    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    73    77    50.00000  134.85500
   73    42    45    85.00000  122.70000
   73    64    65    35.00000  120.00000
   73    77    43    75.00000  116.72000
   73    77    82    55.00000  128.73000
   77    43    47    70.00000  120.00000
   77    82    79    70.00000  112.62400
   77    82    83    45.00000  111.11700
   77    82    84    45.00000  111.11700
   43    39    42    70.00000  114.00000
   43    47    48    35.00000  109.50000
   43    47    55    70.00000  112.17500
   43    47    78    75.00000  112.33000
   47    55    58    58.35000  112.70000
   47    55    61    58.35000  112.70000
   47    78    74    51.80000  107.20000
   47    78    79    51.80000  107.20000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    66    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    69    58.35000  112.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    78    56.20000  109.47000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    78    79    51.80000  107.20000
   76    74    75    33.00000  107.80000
   78    47    48    35.00000  109.50000
   78    47    55    56.20000  109.47000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    79    80    35.00000  109.50000
   78    79    81    35.00000  109.50000
   78    79    82    56.20000  109.47000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    77    43    80.00000  105.07000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   61    55    58    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    75.00000  115.90000
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    58   0.44750  1.0 1.0
   29    33    55    58  -0.17800 -1.0 2.0
   29    33    55    58   0.20200  1.0 3.0
   29    33    55    61   0.44750  1.0 1.0
   29    33    55    61  -0.17800 -1.0 2.0
   29    33    55    61   0.20200  1.0 3.0
   33    38    39    42   1.50000 -1.0 2.0
   33    38    39    43   1.50000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    55    58    59   0.15000  1.0 3.0
   33    55    58    60   0.15000  1.0 3.0
   33    55    58    66   0.56750  1.0 1.0
   33    55    58    66  -0.07550 -1.0 2.0
   33    55    58    66   0.20000  1.0 3.0
   33    55    61    62   0.15000  1.0 3.0
   33    55    61    63   0.15000  1.0 3.0
   33    55    61    69   0.56750  1.0 1.0
   33    55    61    69  -0.07550 -1.0 2.0
   33    55    61    69   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    55    47   0.15000  1.0 3.0
   34    33    55    58   0.15000  1.0 3.0
   34    33    55    61   0.15000  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    58   0.34400  1.0 1.0
   38    33    55    58   0.09450 -1.0 2.0
   38    33    55    58   0.11100  1.0 3.0
   38    33    55    61   0.34400  1.0 1.0
   38    33    55    61   0.09450 -1.0 2.0
   38    33    55    61   0.11100  1.0 3.0
   38    39    42    45   3.62500 -1.0 2.0
   38    39    42    73   3.62500 -1.0 2.0
   38    39    43    77   3.62500 -1.0 2.0
   38    39   -43    47   3.62500 -1.0 2.0
   38    40    44    49  -2.26850  1.0 1.0
   38    40    44    49   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    53   3.62500 -1.0 2.0
   39    42    73    64   3.00000 -1.0 2.0
   39    42   -73    77   3.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43    47    55   0.39850  1.0 1.0
   39    43    47    55   0.06450 -1.0 2.0
   39    43    47    55   0.32400  1.0 3.0
   39    43    47    78   0.04300 -1.0 2.0
   42    39   -43    77   3.62500 -1.0 2.0
   42    39    43    47   3.62500 -1.0 2.0
   42    45    53    54   3.62500 -1.0 2.0
   42    45    53    56   3.62500 -1.0 2.0
   42    73   -77    43   3.50000 -1.0 2.0
   42    73    77    82   3.62500 -1.0 2.0
   45    42    73    64   3.00000 -1.0 2.0
   45    42    73    77   3.00000 -1.0 2.0
   45    53    56    57   3.62500 -1.0 2.0
   45    53   -56    64   3.62500 -1.0 2.0
   46    45    53    54   3.62500 -1.0 2.0
   46    45    53    56   3.62500 -1.0 2.0
   53    56    64    65   3.62500 -1.0 2.0
   53    56    64    73   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    64   3.62500 -1.0 2.0
   56    64   -73    42   3.50000 -1.0 2.0
   56    64    73    77   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    73   3.62500 -1.0 2.0
   64    73    77    43   3.62500 -1.0 2.0
   64    73    77    82   3.62500 -1.0 2.0
   65    64    73    42   3.50000 -1.0 2.0
   65    64    73    77   3.62500 -1.0 2.0
   73    42    45    46   3.62500 -1.0 2.0
   73    42   -45    53   3.62500 -1.0 2.0
   73    77   -43    39   3.62500 -1.0 2.0
   73    77    43    47   3.62500 -1.0 2.0
   73    77    82    79   0.04150 -1.0 2.0
   73    77    82    83   0.00000  1.0 1.0
   73    77    82    84   0.00000  1.0 1.0
   77    43    47    48   0.00000  1.0 1.0
   77    43    47    55   0.04150 -1.0 2.0
   77    43    47    78   0.18550 -1.0 2.0
   77    43    47    78   0.14000  1.0 3.0
   43    39    42    45   3.62500 -1.0 2.0
   43    39   -42    73   3.62500 -1.0 2.0
   43    77    82    79   0.04150 -1.0 2.0
   43    77    82    83   0.00000  1.0 1.0
   43    77    82    84   0.00000  1.0 1.0
   43    47   -55    33  -0.03700  1.0 1.0
   43    47   -55    33   0.37200 -1.0 2.0
   43    47   -55    33  -0.47300  1.0 3.0
   43    47    55    58  -0.03700  1.0 1.0
   43    47    55    58   0.37200 -1.0 2.0
   43    47    55    58  -0.47300  1.0 3.0
   43    47    55    61  -0.03700  1.0 1.0
   43    47    55    61   0.37200 -1.0 2.0
   43    47    55    61  -0.47300  1.0 3.0
   43    47    78    74   0.82600  1.0 1.0
   43    47    78    74  -0.32100 -1.0 2.0
   43    47    78    74   1.02000  1.0 3.0
   43    47   -78    79   0.82600  1.0 1.0
   43    47   -78    79  -0.32100 -1.0 2.0
   43    47   -78    79   1.02000  1.0 3.0
   47    55    58    59   0.15000  1.0 3.0
   47    55    58    60   0.15000  1.0 3.0
   47    55    58    66   0.56750  1.0 1.0
   47    55    58    66  -0.07550 -1.0 2.0
   47    55    58    66   0.20000  1.0 3.0
   47    55    61    62   0.15000  1.0 3.0
   47    55    61    63   0.15000  1.0 3.0
   47    55    61    69   0.56750  1.0 1.0
   47    55    61    69  -0.07550 -1.0 2.0
   47    55    61    69   0.20000  1.0 3.0
   47    78    79    80   0.28000  1.0 3.0
   47    78    79    81   0.28000  1.0 3.0
   47    78    79    82   0.23450  1.0 1.0
   47    78    79    82   0.02050 -1.0 2.0
   47    78    79    82   0.25250  1.0 3.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    55    61   0.15000  1.0 3.0
   48    47    78    74   0.28000  1.0 3.0
   48    47    78    79   0.28000  1.0 3.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    40   0.09850  1.0 1.0
   55    33    38    40   0.15250 -1.0 2.0
   55    33    38    40  -0.50650  1.0 3.0
   55    47    78    74   0.23450  1.0 1.0
   55    47    78    74   0.02050 -1.0 2.0
   55    47    78    74   0.25250  1.0 3.0
   55    47    78    79   0.23450  1.0 1.0
   55    47    78    79   0.02050 -1.0 2.0
   55    47    78    79   0.25250  1.0 3.0
   55    58    66    67   0.15000  1.0 3.0
   55    58    66    68   0.15000  1.0 3.0
   55    58   -66    74   0.56750  1.0 1.0
   55    58   -66    74  -0.07550 -1.0 2.0
   55    58   -66    74   0.20000  1.0 3.0
   55    61    69    70   0.15000  1.0 3.0
   55    61    69    71   0.15000  1.0 3.0
   55    61    69    72   0.15000  1.0 3.0
   58    55    61    62   0.15000  1.0 3.0
   58    55    61    63   0.15000  1.0 3.0
   58    55    61    69   0.56750  1.0 1.0
   58    55    61    69  -0.07550 -1.0 2.0
   58    55    61    69   0.20000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    78   1.53400  1.0 1.0
   58    66    74    78  -0.09950 -1.0 2.0
   58    66    74    78   0.05700  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    74   0.15000  1.0 3.0
   66    74   -78    47   0.23450  1.0 1.0
   66    74   -78    47   0.02050 -1.0 2.0
   66    74   -78    47   0.25250  1.0 3.0
   66    74    78    79   0.23450  1.0 1.0
   66    74    78    79   0.02050 -1.0 2.0
   66    74    78    79   0.25250  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    78   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    78   0.15000  1.0 3.0
   74    78    79    80   0.28000  1.0 3.0
   74    78    79    81   0.28000  1.0 3.0
   74    78    79    82   0.23450  1.0 1.0
   74    78    79    82   0.02050 -1.0 2.0
   74    78    79    82   0.25250  1.0 3.0
   75    74    78    47   0.28000  1.0 3.0
   75    74    78    79   0.28000  1.0 3.0
   76    74    78    47   0.28000  1.0 3.0
   76    74    78    79   0.28000  1.0 3.0
   78    47    55    33   1.53400  1.0 1.0
   78    47    55    33  -0.09950 -1.0 2.0
   78    47    55    33   0.05700  1.0 3.0
   78    47   -55    58   1.53400  1.0 1.0
   78    47   -55    58  -0.09950 -1.0 2.0
   78    47   -55    58   0.05700  1.0 3.0
   78    47    55    61   1.53400  1.0 1.0
   78    47    55    61  -0.09950 -1.0 2.0
   78    47    55    61   0.05700  1.0 3.0
   78    79   -82    77   0.83750  1.0 1.0
   78    79   -82    77   0.32200 -1.0 2.0
   78    79   -82    77   0.70600  1.0 3.0
   78    79    82    83   0.15000  1.0 3.0
   78    79    82    84   0.15000  1.0 3.0
   80    79    82    77   0.43200  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   81    79    82    77   0.43200  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   82    77    43    39   3.62500 -1.0 2.0
   82    77   -43    47   3.62500 -1.0 2.0
   61    55    58    59   0.15000  1.0 3.0
   61    55    58    60   0.15000  1.0 3.0
   61    55    58    66   0.56750  1.0 1.0
   61    55    58    66  -0.07550 -1.0 2.0
   61    55    58    66   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    72   0.15000  1.0 3.0
   40    38    39    42   1.50000 -1.0 2.0
   40    38    39    43   1.50000 -1.0 2.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51   0.08050  1.0 3.0
   40    44    49    52   0.08050  1.0 3.0
   41    40    44    49   2.00000 -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    40   1.10000 -1.0 2.0
   42    43    39    38   4.00000 -1.0 2.0
   45    73    42    39   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   73    65    64    56   1.10000 -1.0 2.0
   64    77    73    42   4.00000 -1.0 2.0
   43    82    77    73   4.00000 -1.0 2.0
   77    47    43    39   4.00000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
