* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    144    214     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    46.00902   104.62892
    3     1 S   H    _H1_     3     1.02178    66.74667  -101.26285
    4     1 S   H    _H2_     4     1.02038   105.05744     2.95154
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.81661    98.31760   161.83386
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.49321   110.94767   160.00747
   38    33 S   OS   _O22    75     1.42260   111.06442    37.45489
   39    37 S   CMA  _C6_    38     1.35260   123.69973    95.16029
   40    39 S   OM   _O19    39     1.26169   128.50226   172.21949
   41    37 S   OS   _O21    70     1.38885   114.42558   -88.47747
   42    38 S   CT   _C21    76     1.42097   111.46489  -176.83053
   43    42 S   HC   _H43    77     1.09304   109.46509   180.00000
   44    42 S   HC   _H44    78     1.09289   109.55080    59.21514
   45    42 S   HC   _H45    79     1.09248   108.99940   -60.44787
   46    39 S   CM   _C4_    40     1.50012   118.00797    -5.47998
   47    41 S   CT   _C20    71     1.40367   112.28462    93.57862
   48    47 S   HC   _H40    72     1.09320   109.49399   180.00000
   49    47 S   HC   _H41    73     1.09310   109.56060    59.19795
   50    47 S   HC   _H42    74     1.09246   109.02599   -60.47286
   51    46 S   CM   _C5_    41     1.35867   119.73151    27.11837
   52    33 S   CO4  _C8_    42     1.52057   108.60655   -79.38880
   53    52 S   O    _O20    43     1.23149   121.14342    91.58596
   54    51 S   CT   _C15    44     1.51851   125.77749   172.09282
   55    54 S   HC   _H33    45     1.09831   106.90578   117.40339
   56    54 S   CT   _C13    46     1.53029   113.65459    -1.55293
   57    56 S   HC   _H29    47     1.09810   111.44714   -85.72107
   58    56 S   HC   _H30    48     1.09780   109.58862   157.31574
   59    54 S   CM   _C12    62     1.50323   112.74679  -124.19720
   60    56 S   CT   _C14    49     1.51842   110.58123    36.65080
   61    60 S   HC   _H31    50     1.09920   108.71281    60.84400
   62    60 S   HC   _H32    51     1.09937   108.94727   176.09826
   63    59 S   CM   _C10    63     1.34113   121.92137    32.16540
   64    63 S   HC   _H26    64     1.08426   121.32857  -179.96044
   65    63 S   HC   _H27    65     1.08474   121.34674    -0.02798
   66    59 S   CT   _C18    66     1.49989   116.14096  -147.84811
   67    66 S   HC   _H34    67     1.09425   110.31258   -89.96614
   68    66 S   HC   _H35    68     1.09479   110.26972    29.85009
   69    66 S   HC   _H36    69     1.09475   112.15193   149.89637
   70    46 S   CT   _C16    52     1.56442   121.05318  -150.54601
   71    70 S   CM   _C11    53     1.51360   111.28522   -75.52579
   72    71 S   HC   _H28    54     1.08611   117.13069   -60.05686
   73    70 S   CT   _C19    58     1.55150   112.00209    47.28907
   74    73 S   HC   _H37    59     1.08081   108.57333   179.95577
   75    73 S   HC   _H38    60     1.08103   108.61822    59.97536
   76    73 S   HC   _H39    61     1.08074   108.63399   -60.02713
   77    71 S   CM   _C9_    55     1.33706   124.02801   120.03610
   78    77 S   HC   _H24    56     1.08495   120.41481  -180.00000
   79    77 S   HC   _H25    57     1.08433   121.58513    -0.02798
  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
  15   2   1   1  14   9  11   4   6   4   2   1   1  18   3   2
   1   1  14   6   1  16   7  11   6   5   8  10   4   3   6   2
   1   3   2   1   1   9   8   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    52    53    41    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    46    51    52    53    54    41    47    38    42    43    44    45  
   35    36  
   36  
    0  
   39    40    46    51    52    53    70    41    47    48    49    50    38    42  
   42    43    44    45    39    41    51    52    53  
   40    46    51    52    54    60    70    71    73    41    47  
   46    51    70    41  
   47    48    49    50    46    52  
   43    44    45    52  
   44    45  
   45  
    0  
   51    52    53    54    55    56    60    61    62    70    71    72    77    73    74    75    76    59  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    58    60    70    71    73    59    63    66  
   53    54    55    56    70    59  
   54  
   55    56    57    58    60    61    62    70    59    63    64    65    66    67    68    69  
   56    57    58    60    59    63    66  
   57    58    60    61    62    70    71    73    59    63    66  
   58    60    61    62    70    59  
   60    61    62    70    59  
   63    64    65    66    67    68    69    60  
   61    62    70    71    72    77    73    74    75    76  
   62    70    71    73  
   70    71    73  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73    74    75    76  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    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  -0.316400   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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.522
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   440.000  1.360
   39    40   745.000  1.250
   39    46   465.000  1.376
   46    51   549.000  1.340
   46    70   317.000  1.510
   51    52   320.000  1.462
   51    54   317.000  1.510
   52    53   570.000  1.229
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   317.000  1.510
   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   268.000  1.529
   70    71   317.000  1.510
   70    73   268.000  1.529
   71    72   340.000  1.080
   71    77   549.000  1.340
   77    78   340.000  1.080
   77    79   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   59    63   549.000  1.340
   59    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   41    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    52    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    52    51    65.00000  118.62400
   33    52    53    80.00000  120.40000
   33    38    42    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    46    70.00000  123.01800
   37    41    47    90.00000  111.18400
   39    46    51    70.00000  117.34000
   39    46    70    70.00000  124.00000
   46    39    40    65.00000  137.10300
   46    51    52    65.00000  118.96000
   46    51    54    70.00000  124.00000
   46    70    60    70.00000  112.02700
   46    70    71    70.00000  110.12100
   46    70    73    70.00000  112.02700
   51    52    53    80.00000  123.72100
   51    54    55    35.00000  109.50000
   51    54    56    70.00000  112.02700
   51    54    59    70.00000  110.12100
   52    33    37    70.00000  109.06800
   54    51    52    65.00000  116.34900
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    59    63    70.00000  124.00000
   54    59    66    65.00000  117.92700
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    70    71    70.00000  112.02700
   60    70    73    58.35000  112.70000
   62    60    61    33.00000  107.80000
   70    46    51    70.00000  124.00000
   70    60    61    37.50000  110.70000
   70    60    62    37.50000  110.70000
   70    71    72    35.00000  117.00000
   70    71    77    70.00000  124.00000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    37.50000  110.70000
   71    77    78    35.00000  120.00000
   71    77    79    35.00000  120.00000
   77    71    72    35.00000  120.00000
   79    77    78    35.00000  117.00000
   73    70    71    70.00000  112.02700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    70.00000  112.02700
   59    63    64    35.00000  120.00000
   59    63    65    35.00000  120.00000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   65    63    64    35.00000  117.00000
   66    59    63    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   41    37    39    80.00000  120.01400
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    52    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    52    51   0.65300  1.0 1.0
   29    33    52    51  -0.03850 -1.0 2.0
   29    33    52    51   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    41    47   2.00000 -1.0 2.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    52    51   0.65300  1.0 1.0
   37    33    52    51  -0.03850 -1.0 2.0
   37    33    52    51   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39   -46    51   7.00000 -1.0 2.0
   37    39    46    70   7.00000 -1.0 2.0
   37    41    47    48   0.08050  1.0 3.0
   37    41    47    49   0.08050  1.0 3.0
   37    41    47    50   0.08050  1.0 3.0
   39    37    41    47  -2.26850  1.0 1.0
   39    37    41    47   3.39050 -1.0 2.0
   39    46    51    52   7.00000 -1.0 2.0
   39    46    51    54   7.00000 -1.0 2.0
   39    46    70    60   0.09850  1.0 1.0
   39    46    70    60   0.15250 -1.0 2.0
   39    46    70    60  -0.50650  1.0 3.0
   39    46    70    71  -0.28300  1.0 1.0
   39    46    70    71   0.26700 -1.0 2.0
   39    46    70    71  -0.63300  1.0 3.0
   39    46    70    73   0.09850  1.0 1.0
   39    46    70    73   0.15250 -1.0 2.0
   39    46    70    73  -0.50650  1.0 3.0
   40    39    46    51   7.00000 -1.0 2.0
   40    39    46    70   7.00000 -1.0 2.0
   46    51   -52    33  -0.33500  1.0 1.0
   46    51   -52    33   1.06600 -1.0 2.0
   46    51   -52    33  -0.14000  1.0 3.0
   46    51    52    53   1.00000 -1.0 2.0
   46    51    54    55   0.00000  1.0 1.0
   46    51    54    56   0.09850  1.0 1.0
   46    51    54    56   0.15250 -1.0 2.0
   46    51    54    56  -0.50650  1.0 3.0
   46    51    54    59  -0.28300  1.0 1.0
   46    51    54    59   0.26700 -1.0 2.0
   46    51    54    59  -0.63300  1.0 3.0
   46    70    71    72   0.00000  1.0 1.0
   46    70    71    77  -0.28300  1.0 1.0
   46    70    71    77   0.26700 -1.0 2.0
   46    70    71    77  -0.63300  1.0 3.0
   46    70    73    74   0.15000  1.0 3.0
   46    70    73    75   0.15000  1.0 3.0
   46    70    73    76   0.15000  1.0 3.0
   51    46    70    60   0.09850  1.0 1.0
   51    46    70    60   0.15250 -1.0 2.0
   51    46    70    60  -0.50650  1.0 3.0
   51    46    70    71  -0.28300  1.0 1.0
   51    46    70    71   0.26700 -1.0 2.0
   51    46    70    71  -0.63300  1.0 3.0
   51    46    70    73   0.09850  1.0 1.0
   51    46    70    73   0.15250 -1.0 2.0
   51    46    70    73  -0.50650  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.15000  1.0 3.0
   51    54   -56    60   0.34400  1.0 1.0
   51    54   -56    60   0.09450 -1.0 2.0
   51    54   -56    60   0.11100  1.0 3.0
   51    54    59    63  -0.28300  1.0 1.0
   51    54    59    63   0.26700 -1.0 2.0
   51    54    59    63  -0.63300  1.0 3.0
   51    54    59    66   0.09700  1.0 1.0
   51    54    59    66   0.15600 -1.0 2.0
   51    54    59    66  -0.50800  1.0 3.0
   52    33   -37    39  -0.51250  1.0 1.0
   52    33   -37    39  -0.88800 -1.0 2.0
   52    33   -37    39   0.08850  1.0 3.0
   52    33    37    41   0.09700  1.0 1.0
   52    33    37    41   0.15600 -1.0 2.0
   52    33    37    41  -0.50800  1.0 3.0
   52    33    38    42  -1.11000  1.0 1.0
   52    33    38    42   0.50250 -1.0 2.0
   52    33    38    42   0.47450  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.09700  1.0 1.0
   52    51    54    56   0.15600 -1.0 2.0
   52    51    54    56  -0.50800  1.0 3.0
   52    51    54    59   0.09700  1.0 1.0
   52    51    54    59   0.15600 -1.0 2.0
   52    51    54    59  -0.50800  1.0 3.0
   54    51    52    33   0.25700  1.0 1.0
   54    51    52    33   0.66200 -1.0 2.0
   54    51    52    33   0.04450  1.0 3.0
   54    51    52    53  -0.64400  1.0 1.0
   54    51    52    53   0.26850 -1.0 2.0
   54    56    60    61   0.15000  1.0 3.0
   54    56    60    62   0.15000  1.0 3.0
   54    56    60    70   0.56750  1.0 1.0
   54    56    60    70  -0.07550 -1.0 2.0
   54    56    60    70   0.20000  1.0 3.0
   54    59    63    64   7.00000 -1.0 2.0
   54    59    63    65   7.00000 -1.0 2.0
   54    59    66    67   0.34800  1.0 3.0
   54    59    66    68   0.34800  1.0 3.0
   54    59    66    69   0.34800  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    59    63   0.00000  1.0 1.0
   55    54    59    66   0.34800  1.0 3.0
   56    54    59    63   0.09850  1.0 1.0
   56    54    59    63   0.15250 -1.0 2.0
   56    54    59    63  -0.50650  1.0 3.0
   56    54    59    66   0.46850  1.0 1.0
   56    54    59    66   0.08550 -1.0 2.0
   56    54    59    66   0.09800  1.0 3.0
   56    60   -70    46   0.34400  1.0 1.0
   56    60   -70    46   0.09450 -1.0 2.0
   56    60   -70    46   0.11100  1.0 3.0
   56    60    70    71   0.34400  1.0 1.0
   56    60    70    71   0.09450 -1.0 2.0
   56    60    70    71   0.11100  1.0 3.0
   56    60    70    73   0.56750  1.0 1.0
   56    60    70    73  -0.07550 -1.0 2.0
   56    60    70    73   0.20000  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   0.15000  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   0.15000  1.0 3.0
   60    70    71    72   0.00000  1.0 1.0
   60    70    71    77   0.09850  1.0 1.0
   60    70    71    77   0.15250 -1.0 2.0
   60    70    71    77  -0.50650  1.0 3.0
   60    70    73    74   0.15000  1.0 3.0
   60    70    73    75   0.15000  1.0 3.0
   60    70    73    76   0.15000  1.0 3.0
   61    60    70    46   0.15000  1.0 3.0
   61    60    70    71   0.15000  1.0 3.0
   61    60    70    73   0.15000  1.0 3.0
   62    60    70    46   0.15000  1.0 3.0
   62    60    70    71   0.15000  1.0 3.0
   62    60    70    73   0.15000  1.0 3.0
   70    46    51    52   7.00000 -1.0 2.0
   70    46   -51    54   7.00000 -1.0 2.0
   70    71    77    78   7.00000 -1.0 2.0
   70    71    77    79   7.00000 -1.0 2.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    71    77    78   7.00000 -1.0 2.0
   72    71    77    79   7.00000 -1.0 2.0
   73    70    71    72   0.00000  1.0 1.0
   73    70    71    77   0.09850  1.0 1.0
   73    70    71    77   0.15250 -1.0 2.0
   73    70    71    77  -0.50650  1.0 3.0
   59    54    56    57   0.15000  1.0 3.0
   59    54    56    58   0.15000  1.0 3.0
   59    54    56    60   0.34400  1.0 1.0
   59    54    56    60   0.09450 -1.0 2.0
   59    54    56    60   0.11100  1.0 3.0
   63    59    66    67   0.00000  1.0 1.0
   63    59    66    68   0.00000  1.0 1.0
   63    59    66    69   0.00000  1.0 1.0
   66    59    63    64   7.00000 -1.0 2.0
   66    59    63    65   7.00000 -1.0 2.0
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    52    51   0.65300  1.0 1.0
   38    33    52    51  -0.03850 -1.0 2.0
   38    33    52    51   0.33900  1.0 3.0
   38    33    52    53   0.30150 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    39   1.10000 -1.0 2.0
   46    40    39    37   1.10000 -1.0 2.0
   39    70    46    51   1.10000 -1.0 2.0
   52    54    51    46   1.10000 -1.0 2.0
   33    51    52    53  10.50000 -1.0 2.0
   70    72    71    77  15.00000 -1.0 2.0
   78    79    77    71  15.00000 -1.0 2.0
   54    66    59    63  15.00000 -1.0 2.0
   64    65    63    59  15.00000 -1.0 2.0
END
