* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    166    273     501
    1     0 S   NP   _N1_     1    29.58917    93.61487   -25.03027
    2     1 S   H    _HN1     2     1.02949    86.68788     7.88117
    3     1 S   H    _H1_     3     1.02829    20.38497  -172.31990
    4     1 S   H    _H2_     4     1.02787   115.74343  -100.93369
    5     1 S   CT   _CA1     5     1.50106   119.85722   119.58205
    6     5 S   HC   _HA1     6     1.09571   105.20012    79.46712
    7     5 S   CO3  _C1_     7     1.53788   112.46364   -40.79518
    8     7 S   O2Z  _O11     8     1.26373   115.00602   -42.69180
    9     7 S   O2Z  _O12     9     1.26238   114.94460   136.46232
   10     5 S   CT   _CB1    10     1.53078   107.43243  -162.52783
   11    10 S   HC   HB11    11     1.09833   109.39550   -49.56680
   12    10 S   HC   HB12    12     1.09814   110.44504    67.04994
   13    10 S   CT   _CG1    13     1.52993   112.59244  -170.52987
   14    13 S   HC   HG11    14     1.09580   110.64649   -65.43985
   15    13 S   HC   HG12    15     1.09668   109.78280    53.80413
   16    13 S   C    _CD1    16     1.51780   112.19618   174.28821
   17    16 S   O    _OE1    17     1.22735   123.27153     7.47717
   18    16 S   N    _N2_    18     1.38657   111.70046  -172.69787
   19    18 S   H    _HN2    19     1.01584   118.95053     1.84504
   20    18 S   CT1  _CA2    20     1.46081   123.39722   177.67577
   21    20 S   HC   _HA2    21     1.09557   109.36309     3.78460
   22    20 S   C    _C2_    22     1.53593   109.03116  -111.22080
   23    22 S   O    _O2_    23     1.23074   122.14796  -149.88447
   24    20 S   CT   _CB2    32     1.53288   111.64549   126.31993
   25    24 S   HC   HB21    33     1.09695   109.32363    62.07984
   26    24 S   HC   HB22    34     1.09473   111.18124   178.59946
   27    22 S   N    _N3_    24     1.38285   113.82704    37.69467
   28    27 S   H    _HN3    25     1.01572   119.60734    -3.50448
   29    24 S   S    _SG2    35     1.83093   115.24554   -57.26317
   30    27 S   CT   _CA3    26     1.45282   123.23548   176.99860
   31    30 S   HC   HA31    27     1.09549   107.53610   -63.97705
   32    30 S   HC   HA32    28     1.09556   107.96398    52.46815
   33    29 S   CT   _C20    36     1.83734   101.84813   -59.32111
   34    33 S   HC   _H6_    37     1.09497   108.28065    58.63272
   35    30 S   CO3  _C3_    29     1.52963   114.05211   174.44402
   36    35 S   O2Z  _O31    30     1.26379   116.05892    -0.63612
   37    35 S   O2Z  _O32    31     1.26423   114.41686   179.41785
   38    33 S   CT   _C21    38     1.53096   112.10926   -62.89630
   39    38 S   HC   _H25    39     1.09609   109.80554    63.46354
   40    38 S   HC   _H26    40     1.09716   110.61783   -53.54675
   41    33 S   CT   _C19    72     1.53310   107.90292   175.14231
   42    41 S   HC   _H23    73     1.09723   111.02347    58.10962
   43    41 S   HC   _H24    74     1.09772   110.21260   -59.96711
   44    38 S   CM   _C16    41     1.51625   111.57793  -174.67380
   45    44 S   CM   _C15    42     1.34501   119.89244  -128.77048
   46    45 S   HC   _H20    43     1.08764   119.62605     1.02412
   47    45 S   CT   _C14    44     1.49528   124.81592  -178.77092
   48    47 S   HC   _H18    45     1.09671   108.70677   134.99619
   49    47 S   HC   _H19    46     1.09713   107.85989  -109.56960
   50    47 S   CT   _C9_    47     1.53510   113.57547    13.45047
   51    50 S   HC   _H4_    48     1.09602   107.77165    76.35470
   52    50 S   CT   _C10    49     1.53051   110.96911  -164.00075
   53    52 S   HC   _H5_    50     1.10430   106.47735    62.45111
   54    50 S   CT   _C8_    66     1.55830   110.07818   -43.15683
   55    54 S   HC   _H3_    67     1.10252   105.65740   -55.94609
   56    52 S   CT   _C11    51     1.52470   119.63706   -56.73475
   57    56 S   HC   _H14    52     1.09443   112.65824    69.87868
   58    56 S   HC   _H15    53     1.09540   111.64793   -51.48257
   59    44 S   CT   _C17    68     1.53432   117.26227    50.96722
   60    56 S   CT   _C12    54     1.53588   102.69134  -170.54949
   61    60 S   HC   _H16    55     1.09377   111.09149   -90.10530
   62    60 S   HC   _H17    56     1.09203   111.62344   145.51339
   63    59 S   CT   _C18    69     1.55602   108.97874   -46.40038
   64    63 S   HC   _H21    70     1.09871   109.57735   -72.92039
   65    63 S   HC   _H22    71     1.09666   110.32754   170.39876
   66    59 S   CT   _C22    75     1.54757   108.04488    72.42928
   67    66 S   HC   _H27    76     1.09474   111.69398  -171.15975
   68    66 S   HC   _H28    77     1.09482   111.79872    67.83264
   69    66 S   HC   _H29    78     1.09508   112.39961   -52.12813
   70    60 S   CO4  _C13    57     1.51974   103.00991    26.26764
   71    70 S   O    _O33    58     1.22382   123.90071   178.90783
   72    52 S   CT   _C5_    59     1.54015   112.13991  -179.27855
   73    72 S   CT   _C6_    60     1.52500   107.49724   -65.42356
   74    73 S   HC   _H10    61     1.09780   110.38022   -61.88543
   75    73 S   HC   _H11    62     1.09684   110.69392  -178.79878
   76    72 S   CT   _C4_    79     1.53946   115.84432    60.13204
   77    76 S   HC   _H7_    80     1.09314   112.89016   -60.40162
   78    76 S   HC   _H8_    81     1.09677   110.17917   179.58129
   79    76 S   HC   _H9_    82     1.09543   112.39934    61.22286
   80    73 S   CT   _C7_    63     1.53910   110.73693    59.35924
   81    80 S   HC   _H12    64     1.09390   107.94610    71.32560
   82    80 S   HC   _H13    65     1.09581   108.02363  -174.16642
  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  10   5   4   3
  13   8   2   1   1  13   5   4   9   5   4  17  11   5  12   5
   4  19   8  21   9  17   7  10   6   5  11   7   4   3   7   2
   1   4   2   1   1  10   3  10   9   5   4   4   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    63    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    59    63    64    65    41    42    43  
   38    39    40    44    63    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    54    59    63    41    42    43    66  
   40    44    45    59    41  
   44    45    59    41  
   42    43    66    44    54    59    63    64    65  
   43    59    63    64    65  
   59    63    64    65  
   45    46    47    48    49    50    80    54    55    59    63    64    65    66    67    68    69  
   46    47    48    49    50    51    52    54    59    63    66  
   47    48    49    50    59  
   48    49    50    51    52    53    56    72    80    54    55    59  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    56    57    58    60    70    72    73    80    81    82    54    55    59    63    66    76  
   52    53    56    72    80    54    55    59  
   53    56    57    58    60    61    62    70    71    72    73    74    75    80    54    55    59    76    77    78    79  
   56    57    58    60    70    72    73    54    76  
   55    59    63    64    65    66    67    68    69    56    72    73    74    75    80    81    82  
   59    63    66    73    80    81    82  
   57    58    60    61    62    70    71    72    73    76  
   58    60    61    62    70    72  
   60    61    62    70    72  
   63    64    65    66    67    68    69    73    80    81    82  
   61    62    70    71    72    73    76  
   62    70    71    72  
   70    71    72  
   64    65    66    67    68    69    80  
   65    66  
   66  
   67    68    69    80  
   68    69  
   69  
    0  
   71    72    73    74    75    80    76    77    78    79  
   72    73    76  
   73    74    75    80    81    82    76    77    78    79  
   74    75    80    81    82    76    77    78    79  
   75    80    81    82    76  
   80    81    82    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82  
   82  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.510
   44    45   549.000  1.340
   44    59   317.000  1.510
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   268.000  1.529
   52    72   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.522
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   268.000  1.529
   72    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    54   268.000  1.529
   54    55   340.000  1.090
   54    59   268.000  1.529
   59    63   268.000  1.529
   59    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    70.00000  112.02700
   33    41    63    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    70.00000  124.00000
   38    44    59    65.00000  117.92700
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    45    46    35.00000  120.00000
   44    45    47    70.00000  124.00000
   44    59    54    70.00000  112.02700
   44    59    63    70.00000  112.02700
   44    59    66    70.00000  112.02700
   45    47    48    35.00000  109.50000
   45    47    49    35.00000  109.50000
   45    47    50    70.00000  112.02700
   47    45    46    35.00000  117.00000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    54    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    56    58.35000  112.70000
   50    52    72    58.35000  112.70000
   50    54    80    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    59    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    60    58.35000  112.70000
   52    72    70    63.00000  111.10000
   52    72    73    58.35000  112.70000
   52    72    76    58.35000  112.70000
   56    52    53    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    70    63.00000  111.10000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    70    71    80.00000  120.40000
   60    70    72    70.00000  116.00000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    72    73    63.00000  111.10000
   70    72    76    63.00000  111.10000
   72    52    53    37.50000  110.70000
   72    52    56    58.35000  112.70000
   72    70    71    80.00000  120.40000
   72    73    74    37.50000  110.70000
   72    73    75    37.50000  110.70000
   72    73    80    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    54    58.35000  112.70000
   75    73    74    33.00000  107.80000
   80    73    74    37.50000  110.70000
   80    73    75    37.50000  110.70000
   80    54    55    37.50000  110.70000
   80    54    59    58.35000  112.70000
   82    80    81    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    80    81    37.50000  110.70000
   54    80    82    37.50000  110.70000
   54    59    63    58.35000  112.70000
   54    59    66    58.35000  112.70000
   59    44    45    70.00000  124.00000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    41    58.35000  112.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    37.50000  110.70000
   63    41    42    37.50000  110.70000
   63    41    43    37.50000  110.70000
   65    63    64    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    63    64    37.50000  110.70000
   41    63    65    37.50000  110.70000
   43    41    42    33.00000  107.80000
   66    59    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   76    72    73    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    63   0.44750  1.0 1.0
   29    33    41    63  -0.17800 -1.0 2.0
   29    33    41    63   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   33    38    44    45   0.09850  1.0 1.0
   33    38    44    45   0.15250 -1.0 2.0
   33    38    44    45  -0.50650  1.0 3.0
   33    38    44    59   0.46850  1.0 1.0
   33    38    44    59   0.08550 -1.0 2.0
   33    38    44    59   0.09800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    41    63   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   38    33    41    63   0.56750  1.0 1.0
   38    33    41    63  -0.07550 -1.0 2.0
   38    33    41    63   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    44    45    46   7.00000 -1.0 2.0
   38    44    45    47   7.00000 -1.0 2.0
   38    44    59    54   0.46850  1.0 1.0
   38    44    59    54   0.08550 -1.0 2.0
   38    44    59    54   0.09800  1.0 3.0
   38    44   -59    63   0.46850  1.0 1.0
   38    44   -59    63   0.08550 -1.0 2.0
   38    44   -59    63   0.09800  1.0 3.0
   38    44    59    66   0.46850  1.0 1.0
   38    44    59    66   0.08550 -1.0 2.0
   38    44    59    66   0.09800  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    59   0.34800  1.0 3.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    59   0.34800  1.0 3.0
   44    45    47    48   0.00000  1.0 1.0
   44    45    47    49   0.00000  1.0 1.0
   44    45    47    50   0.09850  1.0 1.0
   44    45    47    50   0.15250 -1.0 2.0
   44    45    47    50  -0.50650  1.0 3.0
   44    59    63    64   0.15000  1.0 3.0
   44    59    63    65   0.15000  1.0 3.0
   44    59    63    41   0.34400  1.0 1.0
   44    59    63    41   0.09450 -1.0 2.0
   44    59    63    41   0.11100  1.0 3.0
   44    59    66    67   0.15000  1.0 3.0
   44    59    66    68   0.15000  1.0 3.0
   44    59    66    69   0.15000  1.0 3.0
   45    44    59    54   0.09850  1.0 1.0
   45    44    59    54   0.15250 -1.0 2.0
   45    44    59    54  -0.50650  1.0 3.0
   45    44    59    63   0.09850  1.0 1.0
   45    44    59    63   0.15250 -1.0 2.0
   45    44    59    63  -0.50650  1.0 3.0
   45    44    59    66   0.09850  1.0 1.0
   45    44    59    66   0.15250 -1.0 2.0
   45    44    59    66  -0.50650  1.0 3.0
   45    47    50    51   0.15000  1.0 3.0
   45    47    50    52   0.34400  1.0 1.0
   45    47    50    52   0.09450 -1.0 2.0
   45    47    50    52   0.11100  1.0 3.0
   45    47   -50    54   0.34400  1.0 1.0
   45    47   -50    54   0.09450 -1.0 2.0
   45    47   -50    54   0.11100  1.0 3.0
   46    45    47    48   0.33100  1.0 3.0
   46    45    47    49   0.33100  1.0 3.0
   46    45    47    50   0.00000  1.0 1.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    56   0.56750  1.0 1.0
   47    50    52    56  -0.07550 -1.0 2.0
   47    50    52    56   0.20000  1.0 3.0
   47    50    52    72   0.56750  1.0 1.0
   47    50    52    72  -0.07550 -1.0 2.0
   47    50    52    72   0.20000  1.0 3.0
   47    50    54    80   0.56750  1.0 1.0
   47    50    54    80  -0.07550 -1.0 2.0
   47    50    54    80   0.20000  1.0 3.0
   47    50    54    55   0.15000  1.0 3.0
   47    50    54    59   0.56750  1.0 1.0
   47    50    54    59  -0.07550 -1.0 2.0
   47    50    54    59   0.20000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    54   0.15000  1.0 3.0
   50    52    56    57   0.15000  1.0 3.0
   50    52    56    58   0.15000  1.0 3.0
   50    52    56    60   0.56750  1.0 1.0
   50    52    56    60  -0.07550 -1.0 2.0
   50    52    56    60   0.20000  1.0 3.0
   50    52    72    70  -0.95700  1.0 1.0
   50    52    72    70  -0.18200 -1.0 2.0
   50    52    72    70   0.29450  1.0 3.0
   50    52    72    73   0.56750  1.0 1.0
   50    52    72    73  -0.07550 -1.0 2.0
   50    52    72    73   0.20000  1.0 3.0
   50    52    72    76   0.56750  1.0 1.0
   50    52    72    76  -0.07550 -1.0 2.0
   50    52    72    76   0.20000  1.0 3.0
   50    54   -59    44   0.34400  1.0 1.0
   50    54   -59    44   0.09450 -1.0 2.0
   50    54   -59    44   0.11100  1.0 3.0
   50    54    59    63   0.56750  1.0 1.0
   50    54    59    63  -0.07550 -1.0 2.0
   50    54    59    63   0.20000  1.0 3.0
   50    54    59    66   0.56750  1.0 1.0
   50    54    59    66  -0.07550 -1.0 2.0
   50    54    59    66   0.20000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    72   0.15000  1.0 3.0
   51    50    54    80   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    59   0.15000  1.0 3.0
   52    50    54    80   0.56750  1.0 1.0
   52    50    54    80  -0.07550 -1.0 2.0
   52    50    54    80   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    59   0.56750  1.0 1.0
   52    50    54    59  -0.07550 -1.0 2.0
   52    50    54    59   0.20000  1.0 3.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56   -60    70  -0.95700  1.0 1.0
   52    56   -60    70  -0.18200 -1.0 2.0
   52    56   -60    70   0.29450  1.0 3.0
   52    72    73    74   0.15000  1.0 3.0
   52    72    73    75   0.15000  1.0 3.0
   52    72   -73    80   0.56750  1.0 1.0
   52    72   -73    80  -0.07550 -1.0 2.0
   52    72   -73    80   0.20000  1.0 3.0
   52    72    76    77   0.15000  1.0 3.0
   52    72    76    78   0.15000  1.0 3.0
   52    72    76    79   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    60   0.15000  1.0 3.0
   53    52    72    70  -0.11250  1.0 3.0
   53    52    72    73   0.15000  1.0 3.0
   53    52    72    76   0.15000  1.0 3.0
   56    52   -72    70  -0.95700  1.0 1.0
   56    52   -72    70  -0.18200 -1.0 2.0
   56    52   -72    70   0.29450  1.0 3.0
   56    52    72    73   0.56750  1.0 1.0
   56    52    72    73  -0.07550 -1.0 2.0
   56    52    72    73   0.20000  1.0 3.0
   56    52    72    76   0.56750  1.0 1.0
   56    52    72    76  -0.07550 -1.0 2.0
   56    52    72    76   0.20000  1.0 3.0
   56    60    70    71   0.30150 -1.0 2.0
   56    60   -70    72   0.60050  1.0 1.0
   56    60   -70    72   0.05600 -1.0 2.0
   56    60   -70    72   0.26150  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    70  -0.11250  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    70  -0.11250  1.0 3.0
   60    70   -72    52   0.60050  1.0 1.0
   60    70   -72    52   0.05600 -1.0 2.0
   60    70   -72    52   0.26150  1.0 3.0
   60    70    72    73   0.60050  1.0 1.0
   60    70    72    73   0.05600 -1.0 2.0
   60    70    72    73   0.26150  1.0 3.0
   60    70    72    76   0.60050  1.0 1.0
   60    70    72    76   0.05600 -1.0 2.0
   60    70    72    76   0.26150  1.0 3.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    72   0.00000  1.0 1.0
   62    60    70    71   0.00000  1.0 1.0
   62    60    70    72   0.00000  1.0 1.0
   70    72    73    74  -0.11250  1.0 3.0
   70    72    73    75  -0.11250  1.0 3.0
   70    72    73    80  -0.95700  1.0 1.0
   70    72    73    80  -0.18200 -1.0 2.0
   70    72    73    80   0.29450  1.0 3.0
   70    72    76    77  -0.11250  1.0 3.0
   70    72    76    78  -0.11250  1.0 3.0
   70    72    76    79  -0.11250  1.0 3.0
   71    70    72    52   0.30150 -1.0 2.0
   71    70    72    73   0.30150 -1.0 2.0
   71    70    72    76   0.30150 -1.0 2.0
   72    52    56    57   0.15000  1.0 3.0
   72    52    56    58   0.15000  1.0 3.0
   72    52   -56    60   0.56750  1.0 1.0
   72    52   -56    60  -0.07550 -1.0 2.0
   72    52   -56    60   0.20000  1.0 3.0
   72    73    80    81   0.15000  1.0 3.0
   72    73    80    82   0.15000  1.0 3.0
   72    73    80    54   0.56750  1.0 1.0
   72    73    80    54  -0.07550 -1.0 2.0
   72    73    80    54   0.20000  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    79   0.15000  1.0 3.0
   73    80   -54    50   0.56750  1.0 1.0
   73    80   -54    50  -0.07550 -1.0 2.0
   73    80   -54    50   0.20000  1.0 3.0
   73    80    54    55   0.15000  1.0 3.0
   73    80    54    59   0.56750  1.0 1.0
   73    80    54    59  -0.07550 -1.0 2.0
   73    80    54    59   0.20000  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    54   0.15000  1.0 3.0
   75    73    80    81   0.15000  1.0 3.0
   75    73    80    82   0.15000  1.0 3.0
   75    73    80    54   0.15000  1.0 3.0
   80    54    59    44   0.34400  1.0 1.0
   80    54    59    44   0.09450 -1.0 2.0
   80    54    59    44   0.11100  1.0 3.0
   80    54    59    63   0.56750  1.0 1.0
   80    54    59    63  -0.07550 -1.0 2.0
   80    54    59    63   0.20000  1.0 3.0
   80    54    59    66   0.56750  1.0 1.0
   80    54    59    66  -0.07550 -1.0 2.0
   80    54    59    66   0.20000  1.0 3.0
   81    80    54    50   0.15000  1.0 3.0
   81    80    54    55   0.15000  1.0 3.0
   81    80    54    59   0.15000  1.0 3.0
   82    80    54    50   0.15000  1.0 3.0
   82    80    54    55   0.15000  1.0 3.0
   82    80    54    59   0.15000  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.56750  1.0 1.0
   54    50    52    56  -0.07550 -1.0 2.0
   54    50    52    56   0.20000  1.0 3.0
   54    50   -52    72   0.56750  1.0 1.0
   54    50   -52    72  -0.07550 -1.0 2.0
   54    50   -52    72   0.20000  1.0 3.0
   54    59    63    64   0.15000  1.0 3.0
   54    59    63    65   0.15000  1.0 3.0
   54    59    63    41   0.56750  1.0 1.0
   54    59    63    41  -0.07550 -1.0 2.0
   54    59    63    41   0.20000  1.0 3.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    69   0.15000  1.0 3.0
   55    54    59    44   0.15000  1.0 3.0
   55    54    59    63   0.15000  1.0 3.0
   55    54    59    66   0.15000  1.0 3.0
   59    44    45    46   7.00000 -1.0 2.0
   59    44   -45    47   7.00000 -1.0 2.0
   59    63   -41    33   0.56750  1.0 1.0
   59    63   -41    33  -0.07550 -1.0 2.0
   59    63   -41    33   0.20000  1.0 3.0
   59    63    41    42   0.15000  1.0 3.0
   59    63    41    43   0.15000  1.0 3.0
   63    59    66    67   0.15000  1.0 3.0
   63    59    66    68   0.15000  1.0 3.0
   63    59    66    69   0.15000  1.0 3.0
   64    63    41    33   0.15000  1.0 3.0
   64    63    41    42   0.15000  1.0 3.0
   64    63    41    43   0.15000  1.0 3.0
   65    63    41    33   0.15000  1.0 3.0
   65    63    41    42   0.15000  1.0 3.0
   65    63    41    43   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    44   0.34400  1.0 1.0
   41    33   -38    44   0.09450 -1.0 2.0
   41    33   -38    44   0.11100  1.0 3.0
   66    59    63    64   0.15000  1.0 3.0
   66    59    63    65   0.15000  1.0 3.0
   66    59    63    41   0.56750  1.0 1.0
   66    59    63    41  -0.07550 -1.0 2.0
   66    59    63    41   0.20000  1.0 3.0
   76    72    73    74   0.15000  1.0 3.0
   76    72    73    75   0.15000  1.0 3.0
   76    72    73    80   0.56750  1.0 1.0
   76    72    73    80  -0.07550 -1.0 2.0
   76    72    73    80   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    59    44    45   1.10000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   60    72    70    71  10.50000 -1.0 2.0
END
