* LIGAND DATABASE FILE (OPLS2005)
*
001      76    80    158    266     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02044   105.49485   -28.81282
    3     1 S   H    _H1_     3     1.02039    64.92539    74.96661
    4     1 S   H    _H2_     4     1.02097    47.60944  -130.14288
    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     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C16    36     1.84493    97.44839   161.85589
   34    33 S   HC   _H3_    37     1.09927   106.21238   -36.31062
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C10    38     1.53770   107.49103    79.98300
   39    38 S   HC   _H32    39     1.09840   108.51659   -55.38006
   40    38 S   HC   _H33    40     1.09634   111.79088    62.33093
   41    33 S   CT   _C14    74     1.55695   111.21973  -157.70579
   42    41 S   OM   _O18    75     1.32613   108.79583    72.81293
   43    41 S   HC   _H37    76     1.09825   104.51063   -55.08243
   44    38 S   NT   _N17    41     1.45548   108.27098  -173.33903
   45    44 S   CT   _C9_    42     1.47286   114.76467   164.62929
   46    45 S   HC   _H30    43     1.09762   110.30714   -40.77237
   47    45 S   HC   _H31    44     1.09691   108.15300  -154.52817
   48    45 S   CT   _C5_    45     1.53444   116.23775    84.35761
   49    48 S   HC   _H22    46     1.09750   109.33948   -73.39423
   50    48 S   HC   _H23    47     1.09571   109.58025   169.78323
   51    48 S   CT   _C6_    48     1.53331   111.87143    48.14879
   52    51 S   HC   _H24    49     1.09585   110.34244    66.20418
   53    51 S   HC   _H25    50     1.09570   109.52651  -175.45179
   54    51 S   CT   _C12    51     1.52176   107.20042   -55.22052
   55    54 S   HC   _H35    52     1.09998   106.23503   -54.41998
   56    54 S   CT   _C15    53     1.53801   115.83701  -169.18355
   57    56 S   HC   _H38    54     1.09458   111.16182    51.17339
   58    56 S   CT   _C7_    55     1.51722   109.04597   173.87740
   59    58 S   HC   _H26    56     1.09201   113.51618   -47.91194
   60    58 S   HC   _H27    57     1.09802   110.20321  -168.99905
   61    58 S   CT   _C11    58     1.52044    99.08564    75.61865
   62    61 S   HC   _H34    59     1.09388   111.16991   160.38941
   63    61 S   CO4  _C4_    60     1.51527    97.11416    45.97305
   64    63 S   O    _O19    61     1.21997   126.38076   149.21174
   65    61 S   C4T  _C17    63     1.58145   110.59701   -73.98900
   66    56 S   OS   _O20    62     1.43035   113.27050   -72.35862
   67    65 S   C4T  _C13    64     1.57479   112.26830   151.07044
   68    67 S   HC   _H36    65     1.10054   112.06932   157.26566
   69    44 S   C4T  _C18    69     1.48336   113.10366   -66.37360
   70    67 S   C4T  _C8_    66     1.54410    89.32081   -91.61955
   71    70 S   HC   _H28    67     1.09265   115.72079    98.43847
   72    70 S   HC   _H29    68     1.09760   113.36498  -140.23474
   73    67 S   CT   _C19    70     1.51089   121.43466    30.44525
   74    73 S   HC   _H40    71     1.09457   110.60377   -50.59235
   75    73 S   HC   _H41    72     1.09375   110.63169  -170.61688
   76    73 S   HC   _H42    73     1.09430   110.60314    69.35702
  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  14   5   4  14   5   4  17  12   6   5   9
   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5   2
  11   1   9   8   4   6   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    65    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    61    65    67    69    41    42    43  
   38    39    40    44    65    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    54    65    70    69    41    42    43  
   40    44    45    69    41  
   44    45    69    41  
   42    43    44    54    58    61    62    63    65    67    68    69    70    73  
   43    61    65    67    69  
   61    65    67    69  
   45    46    47    48    49    50    51    54    55    56    61    65    67    70    71    72    69  
   46    47    48    49    50    51    52    53    54    65    70    69  
   47    48    49    50    51    69  
   48    49    50    51    69  
   49    50    51    52    53    54    55    56    69  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    58    66    65    70    69  
   53    54    55    56    69  
   54    55    56    69  
   55    56    57    58    59    60    61    63    66    65    67    70    71    72    69  
   56    57    58    66    65    70    69  
   57    58    59    60    61    62    63    64    66    65    70    69  
   58    59    60    61    63    66    69  
   59    60    61    62    63    64    66    65    67    69  
   60    61    62    63    66    65  
   61    62    63    66    65  
   62    63    64    66    65    67    68    70    69    73  
   63    64    66    65    67    69  
   64    66    65    67    69  
   66    65  
   67    68    70    71    72    69    73    74    75    76    66  
   69  
   68    70    71    72    69    73    74    75    76  
   70    71    72    69    73    74    75    76  
   73    70    71    72  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.001200   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   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  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.058800   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.121200   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
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   382.000  1.448
   44    45   382.000  1.448
   44    69   305.000  1.456
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    69   260.000  1.519
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    66   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.522
   61    65   260.000  1.519
   63    64   570.000  1.229
   63    66   214.000  1.327
   65    67   268.000  1.529
   65    69   268.000  1.529
   65    41   260.000  1.519
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    73   260.000  1.519
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    69   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   41    42   570.000  1.307
   41    43   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    56.20000  109.47000
   33    41    65    70.00000  112.98000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    51.80000  107.20000
   38    44    69    51.80000  107.20000
   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  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    56.20000  109.47000
   44    69    54    56.20000  109.47000
   44    69    65    65.00000  120.10000
   44    69    70    65.00000  120.10000
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    69    70.00000  112.98000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    66    50.00000  109.50000
   54    69    65    65.00000  119.52000
   54    69    70    65.00000  119.52000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    58.35000  112.70000
   56    66    63    83.00000  116.90000
   58    56    57    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    63.00000  111.10000
   58    61    65    70.00000  112.98000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    64    80.00000  120.40000
   61    63    66    81.00000  111.40000
   61    65    67    65.00000  119.52000
   61    65    69    65.00000  119.52000
   61    65    41    58.35000  112.70000
   63    61    62    35.00000  109.50000
   66    56    57    35.00000  109.50000
   66    56    58    50.00000  109.50000
   66    63    64    83.00000  123.40000
   65    61    62    45.00000  111.22300
   65    61    63    63.00000  111.10000
   65    67    68    37.50000  110.70000
   65    67    70    63.00000   92.00000
   65    67    73    65.00000  119.52000
   65    69    70    63.00000   92.00000
   65    41    42    50.00000  109.50000
   65    41    43    45.00000  111.22300
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    69    63.00000   92.00000
   67    73    74    45.00000  111.22300
   67    73    75    45.00000  111.22300
   67    73    76    45.00000  111.22300
   70    67    68    37.50000  110.70000
   72    70    71    33.00000  107.80000
   69    44    45    51.80000  107.20000
   69    54    55    45.00000  111.22300
   69    54    56    70.00000  112.98000
   69    65    67    63.00000   92.00000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   73    67    68    45.00000  112.72800
   73    67    70    65.00000  119.52000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    67    65.00000  119.52000
   41    65    69    65.00000  119.52000
   43    41    42    45.00000  125.66300
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    65   0.44750  1.0 1.0
   29    33    41    65  -0.17800 -1.0 2.0
   29    33    41    65   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   33    38    44    45   0.23450  1.0 1.0
   33    38    44    45   0.02050 -1.0 2.0
   33    38    44    45   0.25250  1.0 3.0
   33    38    44    69   0.23450  1.0 1.0
   33    38    44    69   0.02050 -1.0 2.0
   33    38    44    69   0.25250  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    65   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   38    33    41    65   0.31550 -1.0 2.0
   38    33    41    65   0.11250  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    44    45    46   0.28000  1.0 3.0
   38    44    45    47   0.28000  1.0 3.0
   38    44    45    48   0.23450  1.0 1.0
   38    44    45    48   0.02050 -1.0 2.0
   38    44    45    48   0.25250  1.0 3.0
   38    44    69    54   0.23450  1.0 1.0
   38    44    69    54   0.02050 -1.0 2.0
   38    44    69    54   0.25250  1.0 3.0
   38    44   -69    65   0.23450  1.0 1.0
   38    44   -69    65   0.02050 -1.0 2.0
   38    44   -69    65   0.25250  1.0 3.0
   38    44    69    70   0.23450  1.0 1.0
   38    44    69    70   0.02050 -1.0 2.0
   38    44    69    70   0.25250  1.0 3.0
   39    38    44    45   0.28000  1.0 3.0
   39    38    44    69   0.28000  1.0 3.0
   40    38    44    45   0.28000  1.0 3.0
   40    38    44    69   0.28000  1.0 3.0
   44    45    48    49   0.15000  1.0 3.0
   44    45    48    50   0.15000  1.0 3.0
   44    45    48    51   1.53400  1.0 1.0
   44    45    48    51  -0.09950 -1.0 2.0
   44    45    48    51   0.05700  1.0 3.0
   45    44    69    54   0.23450  1.0 1.0
   45    44    69    54   0.02050 -1.0 2.0
   45    44    69    54   0.25250  1.0 3.0
   45    44    69    65   0.23450  1.0 1.0
   45    44    69    65   0.02050 -1.0 2.0
   45    44    69    65   0.25250  1.0 3.0
   45    44    69    70   0.23450  1.0 1.0
   45    44    69    70   0.02050 -1.0 2.0
   45    44    69    70   0.25250  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    53   0.15000  1.0 3.0
   45    48   -51    54   0.56750  1.0 1.0
   45    48   -51    54  -0.07550 -1.0 2.0
   45    48   -51    54   0.20000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.56750  1.0 1.0
   48    51    54    56  -0.07550 -1.0 2.0
   48    51    54    56   0.20000  1.0 3.0
   48    51    54    69   0.31550 -1.0 2.0
   48    51    54    69   0.11250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.56750  1.0 1.0
   51    54    56    58  -0.07550 -1.0 2.0
   51    54    56    58   0.20000  1.0 3.0
   51    54    56    66   0.62750  1.0 1.0
   51    54    56    66  -0.30950 -1.0 2.0
   51    54    56    66   0.27300  1.0 3.0
   51    54   -69    44   1.53400  1.0 1.0
   51    54   -69    44  -0.09950 -1.0 2.0
   51    54   -69    44   0.05700  1.0 3.0
   51    54    69    65   0.04050  1.0 1.0
   51    54    69    65   0.63700 -1.0 2.0
   51    54    69    65   0.17650  1.0 3.0
   51    54    69    70   0.04050  1.0 1.0
   51    54    69    70   0.63700 -1.0 2.0
   51    54    69    70   0.17650  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    69   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    69   0.15000  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    61   0.56750  1.0 1.0
   54    56    58    61  -0.07550 -1.0 2.0
   54    56    58    61   0.20000  1.0 3.0
   54    56    66    63  -0.25900  1.0 1.0
   54    56    66    63  -0.47000 -1.0 2.0
   54    56    66    63   0.11750  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    66   0.23400  1.0 3.0
   55    54    69    44   0.15000  1.0 3.0
   55    54    69    65   0.00000  1.0 1.0
   55    54    69    70   0.00000  1.0 1.0
   56    54    69    44   1.53400  1.0 1.0
   56    54    69    44  -0.09950 -1.0 2.0
   56    54    69    44   0.05700  1.0 3.0
   56    54    69    65   0.04050  1.0 1.0
   56    54    69    65   0.63700 -1.0 2.0
   56    54    69    65   0.17650  1.0 3.0
   56    54    69    70   0.04050  1.0 1.0
   56    54    69    70   0.63700 -1.0 2.0
   56    54    69    70   0.17650  1.0 3.0
   56    58    61    62   0.15000  1.0 3.0
   56    58   -61    63  -0.95700  1.0 1.0
   56    58   -61    63  -0.18200 -1.0 2.0
   56    58   -61    63   0.29450  1.0 3.0
   56    58   -61    65   0.31550 -1.0 2.0
   56    58   -61    65   0.11250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   57    56    66    63   0.08050  1.0 3.0
   58    56   -66    63  -0.25900  1.0 1.0
   58    56   -66    63  -0.47000 -1.0 2.0
   58    56   -66    63   0.11750  1.0 3.0
   58    61    63    64   0.30150 -1.0 2.0
   58    61   -63    66   0.36750  1.0 3.0
   58    61    65    67   0.04050  1.0 1.0
   58    61    65    67   0.63700 -1.0 2.0
   58    61    65    67   0.17650  1.0 3.0
   58    61    65    69   0.04050  1.0 1.0
   58    61    65    69   0.63700 -1.0 2.0
   58    61    65    69   0.17650  1.0 3.0
   58    61    65    41   0.56750  1.0 1.0
   58    61    65    41  -0.07550 -1.0 2.0
   58    61    65    41   0.20000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63  -0.11250  1.0 3.0
   59    58    61    65   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63  -0.11250  1.0 3.0
   60    58    61    65   0.15000  1.0 3.0
   61    63   -66    56   1.63150  1.0 1.0
   61    63   -66    56   2.92000 -1.0 2.0
   61    65    67    68   0.15000  1.0 3.0
   61    65    67    70  -0.70950  1.0 1.0
   61    65    67    70   0.38400 -1.0 2.0
   61    65    67    73   0.56750  1.0 1.0
   61    65    67    73  -0.07550 -1.0 2.0
   61    65    67    73   0.20000  1.0 3.0
   61    65    69    44   1.53400  1.0 1.0
   61    65    69    44  -0.09950 -1.0 2.0
   61    65    69    44   0.05700  1.0 3.0
   61    65   -69    54   0.56750  1.0 1.0
   61    65   -69    54  -0.07550 -1.0 2.0
   61    65   -69    54   0.20000  1.0 3.0
   61    65   -69    70  -0.70950  1.0 1.0
   61    65   -69    70   0.38400 -1.0 2.0
   61    65    41    33   0.56750  1.0 1.0
   61    65    41    33  -0.07550 -1.0 2.0
   61    65    41    33   0.20000  1.0 3.0
   61    65    41    42   0.62750  1.0 1.0
   61    65    41    42  -0.30950 -1.0 2.0
   61    65    41    42   0.27300  1.0 3.0
   61    65    41    43   0.15000  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    65    67   0.00000  1.0 1.0
   62    61    65    69   0.00000  1.0 1.0
   62    61    65    41   0.15000  1.0 3.0
   63    61    65    67  -0.95700  1.0 1.0
   63    61    65    67  -0.18200 -1.0 2.0
   63    61    65    67   0.29450  1.0 3.0
   63    61    65    69  -0.95700  1.0 1.0
   63    61    65    69  -0.18200 -1.0 2.0
   63    61    65    69   0.29450  1.0 3.0
   63    61    65    41  -0.95700  1.0 1.0
   63    61    65    41  -0.18200 -1.0 2.0
   63    61    65    41   0.29450  1.0 3.0
   64    63    66    56   3.00000 -1.0 2.0
   66    56    58    59   0.23400  1.0 3.0
   66    56    58    60   0.23400  1.0 3.0
   66    56   -58    61   0.62750  1.0 1.0
   66    56   -58    61  -0.30950 -1.0 2.0
   66    56   -58    61   0.27300  1.0 3.0
   65    61    63    64   0.30150 -1.0 2.0
   65    61    63    66   0.36750  1.0 3.0
   65    67    70    71   0.15000  1.0 3.0
   65    67    70    72   0.15000  1.0 3.0
   65    67   -70    69   0.00000  1.0 1.0
   65    67    73    74   0.00000  1.0 1.0
   65    67    73    75   0.00000  1.0 1.0
   65    67    73    76   0.00000  1.0 1.0
   67    65    69    44   1.53400  1.0 1.0
   67    65    69    44  -0.09950 -1.0 2.0
   67    65    69    44   0.05700  1.0 3.0
   67    65    69    54  -0.70950  1.0 1.0
   67    65    69    54   0.38400 -1.0 2.0
   67    65   -69    70   0.00000  1.0 1.0
   67    65    41    33   0.04050  1.0 1.0
   67    65    41    33   0.63700 -1.0 2.0
   67    65    41    33   0.17650  1.0 3.0
   67    65    41    42   0.62750  1.0 1.0
   67    65    41    42  -0.30950 -1.0 2.0
   67    65    41    42   0.27300  1.0 3.0
   67    65    41    43   0.00000  1.0 1.0
   67    70   -69    44   1.53400  1.0 1.0
   67    70   -69    44  -0.09950 -1.0 2.0
   67    70   -69    44   0.05700  1.0 3.0
   67    70   -69    54  -0.70950  1.0 1.0
   67    70   -69    54   0.38400 -1.0 2.0
   67    70   -69    65   0.00000  1.0 1.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    69   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    76   0.15000  1.0 3.0
   70    67    73    74   0.00000  1.0 1.0
   70    67    73    75   0.00000  1.0 1.0
   70    67    73    76   0.00000  1.0 1.0
   71    70    69    44   0.15000  1.0 3.0
   71    70    69    54   0.15000  1.0 3.0
   71    70   -69    65   0.15000  1.0 3.0
   72    70    69    44   0.15000  1.0 3.0
   72    70    69    54   0.15000  1.0 3.0
   72    70   -69    65   0.15000  1.0 3.0
   69    44    45    46   0.28000  1.0 3.0
   69    44    45    47   0.28000  1.0 3.0
   69    44   -45    48   0.23450  1.0 1.0
   69    44   -45    48   0.02050 -1.0 2.0
   69    44   -45    48   0.25250  1.0 3.0
   69    54    56    57   0.15000  1.0 3.0
   69    54   -56    58   0.31550 -1.0 2.0
   69    54   -56    58   0.11250  1.0 3.0
   69    54    56    66   0.62750  1.0 1.0
   69    54    56    66  -0.30950 -1.0 2.0
   69    54    56    66   0.27300  1.0 3.0
   69    65   -67    68   0.15000  1.0 3.0
   69    65   -67    70   0.00000  1.0 1.0
   69    65    67    73  -0.70950  1.0 1.0
   69    65    67    73   0.38400 -1.0 2.0
   69    65   -41    33   0.04050  1.0 1.0
   69    65   -41    33   0.63700 -1.0 2.0
   69    65   -41    33   0.17650  1.0 3.0
   69    65    41    42   0.62750  1.0 1.0
   69    65    41    42  -0.30950 -1.0 2.0
   69    65    41    42   0.27300  1.0 3.0
   69    65    41    43   0.00000  1.0 1.0
   73    67    70    71   0.15000  1.0 3.0
   73    67    70    72   0.15000  1.0 3.0
   73    67   -70    69  -0.70950  1.0 1.0
   73    67   -70    69   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   1.53400  1.0 1.0
   41    33    38    44  -0.09950 -1.0 2.0
   41    33    38    44   0.05700  1.0 3.0
   41    65    67    68   0.15000  1.0 3.0
   41    65    67    70  -0.70950  1.0 1.0
   41    65    67    70   0.38400 -1.0 2.0
   41    65    67    73   0.56750  1.0 1.0
   41    65    67    73  -0.07550 -1.0 2.0
   41    65    67    73   0.20000  1.0 3.0
   41    65   -69    44   1.53400  1.0 1.0
   41    65   -69    44  -0.09950 -1.0 2.0
   41    65   -69    44   0.05700  1.0 3.0
   41    65    69    54   0.56750  1.0 1.0
   41    65    69    54  -0.07550 -1.0 2.0
   41    65    69    54   0.20000  1.0 3.0
   41    65   -69    70  -0.70950  1.0 1.0
   41    65   -69    70   0.38400 -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
   61    66    63    64  10.50000 -1.0 2.0
END
