* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.58558    96.42118   -21.20273
    2     1 S   H    _HN1     2     1.02961    79.05544    23.59777
    3     1 S   H    _H1_     3     1.02836    41.61272   155.44875
    4     1 S   H    _H2_     4     1.02779    88.72770   -85.34594
    5     1 S   CT   _CA1     5     1.50117   151.28098   136.27331
    6     5 S   HC   _HA1     6     1.09576   105.23402    72.63821
    7     5 S   CO3  _C1_     7     1.53786   112.40206   -47.57378
    8     7 S   O2Z  _O11     8     1.26358   115.00524   -43.72939
    9     7 S   O2Z  _O12     9     1.26241   114.92063   135.47140
   10     5 S   CT   _CB1    10     1.53097   107.42838  -169.45437
   11    10 S   HC   HB11    11     1.09824   109.32427   -50.91147
   12    10 S   HC   HB12    12     1.09820   110.41478    65.63391
   13    10 S   CT   _CG1    13     1.53008   112.68150  -172.02568
   14    13 S   HC   HG11    14     1.09599   110.43014   -63.84327
   15    13 S   HC   HG12    15     1.09652   109.99380    55.38034
   16    13 S   C    _CD1    16     1.51816   112.32992   175.72598
   17    16 S   O    _OE1    17     1.22720   123.26664    -2.42866
   18    16 S   N    _N2_    18     1.38636   111.62386   177.78389
   19    18 S   H    _HN2    19     1.01583   119.01969     1.26532
   20    18 S   CT1  _CA2    20     1.46191   123.38652  -179.92338
   21    20 S   HC   _HA2    21     1.09735   109.40092    -7.61149
   22    20 S   C    _C2_    22     1.53476   108.43207  -123.23701
   23    22 S   O    _O2_    23     1.23030   122.19371  -145.96469
   24    20 S   CT   _CB2    32     1.53433   111.53755   114.43190
   25    24 S   HC   HB21    33     1.09578   109.86219    55.87292
   26    24 S   HC   HB22    34     1.09420   109.91902   174.78756
   27    22 S   N    _N3_    24     1.38491   113.45416    41.39038
   28    27 S   H    _HN3    25     1.01514   118.94140    -0.62901
   29    24 S   S    _SG2    35     1.82842   111.68644   -65.24557
   30    27 S   CT   _CA3    26     1.45455   123.50058   175.17115
   31    30 S   HC   HA31    27     1.09518   109.32803    22.88741
   32    30 S   HC   HA32    28     1.09498   107.10726   139.89933
   33    29 S   CT   _C10    36     1.84722   100.10059   168.28955
   34    33 S   HC   _H4_    37     1.09831   105.38765   -42.15326
   35    30 S   CO3  _C3_    29     1.52913   113.01662  -100.65207
   36    35 S   O2Z  _O31    30     1.26408   115.35502   -45.80073
   37    35 S   O2Z  _O32    31     1.26347   115.01430   135.10620
   38    33 S   CT   _C9_    38     1.54058   110.17341    73.37039
   39    38 S   HC   _H14    39     1.09512   110.11450    61.31466
   40    38 S   HC   _H15    40     1.09354   109.15613   -55.32556
   41    38 S   CT   _C8_    41     1.54347   111.57245  -175.78193
   42    41 S   HC   _H3_    42     1.10064   107.26180    57.33139
   43    41 S   CT   _C7_    43     1.54307   109.81792   -56.51891
   44    43 S   HC   _H12    44     1.09492   110.48834   -66.84463
   45    43 S   HC   _H13    45     1.09635   110.23269   175.85074
   46    41 S   CT   _C11    55     1.58147   114.58770   175.36866
   47    43 S   CT   _C6_    46     1.53110   112.08750    55.35152
   48    47 S   HC   _H10    47     1.09868   107.84729    67.62509
   49    47 S   HC   _H11    48     1.09776   108.78310  -177.79025
   50    46 S   CT   _C12    56     1.55342   111.59193   -54.68111
   51    50 S   HC   _H5_    57     1.09619   110.16294    75.02387
   52    46 S   CT   _C18    76     1.54110   110.20660    68.15185
   53    52 S   HC   _H25    77     1.09148   112.38735  -168.25051
   54    52 S   HC   _H26    78     1.09478   111.47736    72.41687
   55    52 S   HC   _H27    79     1.09342   112.04323   -49.60491
   56    33 S   CT   _C5_    49     1.55223   113.97267  -158.44079
   57    56 S   Br   Br2_    50     1.99036   111.21984   -58.39462
   58    50 S   CT   _C13    58     1.52770   112.65663  -162.64742
   59    58 S   HC   _H16    59     1.09793   109.45361   173.88676
   60    58 S   HC   _H17    60     1.09546   110.57290   -69.24553
   61    50 S   OH   _O34    74     1.43176   109.93232   -42.59975
   62    61 S   HO   _H24    75     0.97265   107.62791   174.66770
   63    56 S   CT   _C4_    51     1.53771   112.55017    60.36260
   64    63 S   HC   _H7_    52     1.09517   112.58163   -64.44874
   65    63 S   HC   _H8_    53     1.09673   111.27814   175.69202
   66    63 S   HC   _H9_    54     1.09586   110.82366    56.28736
   67    58 S   CT   _C14    61     1.52409   109.84954    53.77920
   68    67 S   Br   Br1_    62     1.95777   108.72904   178.57371
   69    67 S   HC   _H6_    63     1.09716   108.26410    66.24595
   70    67 S   CT   _C15    64     1.53981   112.50952   -55.06239
   71    46 S   OS   _O33    65     1.44338   103.79437  -173.72630
   72    70 S   CT   _C16    66     1.53733   115.13358   -75.34872
   73    72 S   HC   _H18    67     1.09591   110.84794   162.49083
   74    72 S   HC   _H19    68     1.09187   112.44261    42.45088
   75    72 S   HC   _H20    69     1.09562   111.89610   -77.37277
   76    70 S   CT   _C17    70     1.54278   109.82938   163.53219
   77    76 S   HC   _H21    71     1.09688   110.66205  -175.16775
   78    76 S   HC   _H22    72     1.09420   112.57428    63.79155
   79    76 S   HC   _H23    73     1.09648   110.81347   -57.76977
  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
  17   8   2   1   1  15   6   5  19   8  12   6   5  17   8   4
   3  15   8   7   3   2   1   5   4  11   6   5   3   1   3   2
   1   1  12   5   4   9   8   7   3   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    47    56    57    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    47    48    49    56    57    63    64    65    66    46  
   38    39    40    41    47    56    57    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    56    57    63    46    50    71    52  
   40    41    42    43    56    46  
   41    42    43    56    46  
   42    43    44    45    47    48    49    56    46    50    51    58    70    71    61    52    53    54    55  
   43    44    45    47    46    50    71    52  
   44    45    47    48    49    56    57    63    46    50    71    52  
   45    47    48    49    56    46  
   47    48    49    56    46  
   50    51    58    59    60    67    70    71    72    76    61    62    52    53    54    55    47  
   48    49    56    57    63    64    65    66  
   49    56    57    63  
   56    57    63  
   51    58    59    60    67    68    69    70    71    61    62    52    53    54    55  
   58    59    60    67    71    61    62    52  
   53    54    55    58    61    70    71  
   54    55    71  
   55    71  
   71  
   57    63    64    65    66  
   63    64    65    66  
   59    60    67    68    69    70    71    72    76    61    62  
   60    67    68    69    70    61  
   67    68    69    70    61  
   62    67    71  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74    75    76    77    78    79  
   69    70    71    72    76  
   70    71    72    76  
   71    72    73    74    75    76    77    78    79  
   72    73    74    75    76    77    78    79  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   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  -0.335000   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   0.218000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.009500   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   0.205000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.127600   1.9750   1.7500   0.005000000  -0.741685710
   57   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   58   3.5000   0.0660  -0.009500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.069500   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.053000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   69   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   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
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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   245.000  1.990
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   268.000  1.529
   46    71   320.000  1.410
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   245.000  1.990
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   61    62   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    47    58.35000  112.70000
   33    56    57    70.00000  109.17700
   33    56    63    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    50    58.35000  112.70000
   41    46    71    50.00000  109.50000
   41    46    52    58.35000  112.70000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    56    57    70.00000  109.17700
   47    56    63    58.35000  112.70000
   49    47    48    33.00000  107.80000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   63    56    57    70.00000  109.17700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    61    50.00000  109.50000
   46    71    70    60.00000  109.50000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    67    58.35000  112.70000
   50    61    62    55.00000  108.50000
   58    50    51    37.50000  110.70000
   58    67    68    70.00000  109.17700
   58    67    69    37.50000  110.70000
   58    67    70    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    70    71    50.00000  109.50000
   67    70    72    58.35000  112.70000
   67    70    76    58.35000  112.70000
   69    67    68    51.00000  107.60000
   70    67    68    70.00000  109.17700
   70    67    69    37.50000  110.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   71    46    50    50.00000  109.50000
   72    70    71    50.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    71    50.00000  109.50000
   76    70    72    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
   61    50    51    35.00000  109.50000
   61    50    58    50.00000  109.50000
   52    46    50    58.35000  112.70000
   52    46    71    50.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    47   0.44750  1.0 1.0
   29    33    56    47  -0.17800 -1.0 2.0
   29    33    56    47   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    63   0.44750  1.0 1.0
   29    33    56    63  -0.17800 -1.0 2.0
   29    33    56    63   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.56750  1.0 1.0
   33    38    41    46  -0.07550 -1.0 2.0
   33    38    41    46   0.20000  1.0 3.0
   33    56    63    64   0.15000  1.0 3.0
   33    56    63    65   0.15000  1.0 3.0
   33    56    63    66   0.15000  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    41   0.15000  1.0 3.0
   34    33    56    47   0.15000  1.0 3.0
   34    33    56    57   0.39750  1.0 3.0
   34    33    56    63   0.15000  1.0 3.0
   38    33    56    47   0.56750  1.0 1.0
   38    33    56    47  -0.07550 -1.0 2.0
   38    33    56    47   0.20000  1.0 3.0
   38    33    56    57   0.74700  1.0 1.0
   38    33    56    57  -0.19600 -1.0 2.0
   38    33    56    57   0.19200  1.0 3.0
   38    33    56    63   0.56750  1.0 1.0
   38    33    56    63  -0.07550 -1.0 2.0
   38    33    56    63   0.20000  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    47   0.56750  1.0 1.0
   38    41   -43    47  -0.07550 -1.0 2.0
   38    41   -43    47   0.20000  1.0 3.0
   38    41    46    50   0.56750  1.0 1.0
   38    41    46    50  -0.07550 -1.0 2.0
   38    41    46    50   0.20000  1.0 3.0
   38    41    46    71   0.62750  1.0 1.0
   38    41    46    71  -0.30950 -1.0 2.0
   38    41    46    71   0.27300  1.0 3.0
   38    41    46    52   0.56750  1.0 1.0
   38    41    46    52  -0.07550 -1.0 2.0
   38    41    46    52   0.20000  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.15000  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.15000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    49   0.15000  1.0 3.0
   41    43    47    56   0.56750  1.0 1.0
   41    43    47    56  -0.07550 -1.0 2.0
   41    43    47    56   0.20000  1.0 3.0
   41    46    50    51   0.15000  1.0 3.0
   41    46    50    58   0.56750  1.0 1.0
   41    46    50    58  -0.07550 -1.0 2.0
   41    46    50    58   0.20000  1.0 3.0
   41    46    50    61   0.86500  1.0 1.0
   41    46    50    61  -0.17500 -1.0 2.0
   41    46    50    61   0.20800  1.0 3.0
   41    46    71    70   0.06250  1.0 1.0
   41    46    71    70  -0.01100 -1.0 2.0
   41    46    71    70   0.28050  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    55   0.15000  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    50   0.15000  1.0 3.0
   42    41    46    71   0.23400  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   43    41    46    50   0.56750  1.0 1.0
   43    41    46    50  -0.07550 -1.0 2.0
   43    41    46    50   0.20000  1.0 3.0
   43    41    46    71   0.62750  1.0 1.0
   43    41    46    71  -0.30950 -1.0 2.0
   43    41    46    71   0.27300  1.0 3.0
   43    41    46    52   0.56750  1.0 1.0
   43    41    46    52  -0.07550 -1.0 2.0
   43    41    46    52   0.20000  1.0 3.0
   43    47   -56    33   0.56750  1.0 1.0
   43    47   -56    33  -0.07550 -1.0 2.0
   43    47   -56    33   0.20000  1.0 3.0
   43    47    56    57   0.74700  1.0 1.0
   43    47    56    57  -0.19600 -1.0 2.0
   43    47    56    57   0.19200  1.0 3.0
   43    47    56    63   0.56750  1.0 1.0
   43    47    56    63  -0.07550 -1.0 2.0
   43    47    56    63   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    56   0.15000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    56   0.15000  1.0 3.0
   47    56    63    64   0.15000  1.0 3.0
   47    56    63    65   0.15000  1.0 3.0
   47    56    63    66   0.15000  1.0 3.0
   48    47    56    33   0.15000  1.0 3.0
   48    47    56    57   0.39750  1.0 3.0
   48    47    56    63   0.15000  1.0 3.0
   49    47    56    33   0.15000  1.0 3.0
   49    47    56    57   0.39750  1.0 3.0
   49    47    56    63   0.15000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   57    56    63    64   0.39750  1.0 3.0
   57    56    63    65   0.39750  1.0 3.0
   57    56    63    66   0.39750  1.0 3.0
   46    41    43    44   0.15000  1.0 3.0
   46    41    43    45   0.15000  1.0 3.0
   46    41    43    47   0.56750  1.0 1.0
   46    41    43    47  -0.07550 -1.0 2.0
   46    41    43    47   0.20000  1.0 3.0
   46    50    58    59   0.15000  1.0 3.0
   46    50    58    60   0.15000  1.0 3.0
   46    50    58    67   0.56750  1.0 1.0
   46    50    58    67  -0.07550 -1.0 2.0
   46    50    58    67   0.20000  1.0 3.0
   46    50    61    62  -0.11600  1.0 1.0
   46    50    61    62  -0.09450 -1.0 2.0
   46    50    61    62   0.21250  1.0 3.0
   50    46    71    70   0.06250  1.0 1.0
   50    46    71    70  -0.01100 -1.0 2.0
   50    46    71    70   0.28050  1.0 3.0
   50    46    52    53   0.15000  1.0 3.0
   50    46    52    54   0.15000  1.0 3.0
   50    46    52    55   0.15000  1.0 3.0
   50    58    67    68   0.74700  1.0 1.0
   50    58    67    68  -0.19600 -1.0 2.0
   50    58    67    68   0.19200  1.0 3.0
   50    58    67    69   0.15000  1.0 3.0
   50    58   -67    70   0.56750  1.0 1.0
   50    58   -67    70  -0.07550 -1.0 2.0
   50    58   -67    70   0.20000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    60   0.15000  1.0 3.0
   51    50    58    67   0.15000  1.0 3.0
   51    50    61    62   0.19450  1.0 3.0
   58    50    61    62  -0.11600  1.0 1.0
   58    50    61    62  -0.09450 -1.0 2.0
   58    50    61    62   0.21250  1.0 3.0
   58    67    70    71   0.62750  1.0 1.0
   58    67    70    71  -0.30950 -1.0 2.0
   58    67    70    71   0.27300  1.0 3.0
   58    67    70    72   0.56750  1.0 1.0
   58    67    70    72  -0.07550 -1.0 2.0
   58    67    70    72   0.20000  1.0 3.0
   58    67    70    76   0.56750  1.0 1.0
   58    67    70    76  -0.07550 -1.0 2.0
   58    67    70    76   0.20000  1.0 3.0
   59    58    67    68   0.39750  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   60    58    67    68   0.39750  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   67    70   -71    46   0.06250  1.0 1.0
   67    70   -71    46  -0.01100 -1.0 2.0
   67    70   -71    46   0.28050  1.0 3.0
   67    70    72    73   0.15000  1.0 3.0
   67    70    72    74   0.15000  1.0 3.0
   67    70    72    75   0.15000  1.0 3.0
   67    70    76    77   0.15000  1.0 3.0
   67    70    76    78   0.15000  1.0 3.0
   67    70    76    79   0.15000  1.0 3.0
   68    67    70    71   0.56750  1.0 1.0
   68    67    70    71  -0.07550 -1.0 2.0
   68    67    70    71   0.20000  1.0 3.0
   68    67    70    72   0.74700  1.0 1.0
   68    67    70    72  -0.19600 -1.0 2.0
   68    67    70    72   0.19200  1.0 3.0
   68    67    70    76   0.74700  1.0 1.0
   68    67    70    76  -0.19600 -1.0 2.0
   68    67    70    76   0.19200  1.0 3.0
   69    67    70    71   0.23400  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    76   0.15000  1.0 3.0
   71    46    50    51   0.23400  1.0 3.0
   71    46   -50    58   0.62750  1.0 1.0
   71    46   -50    58  -0.30950 -1.0 2.0
   71    46   -50    58   0.27300  1.0 3.0
   71    46    50    61   3.69350  1.0 1.0
   71    46    50    61  -1.82950 -1.0 2.0
   71    46    52    53   0.23400  1.0 3.0
   71    46    52    54   0.23400  1.0 3.0
   71    46    52    55   0.23400  1.0 3.0
   71    70    72    73   0.23400  1.0 3.0
   71    70    72    74   0.23400  1.0 3.0
   71    70    72    75   0.23400  1.0 3.0
   71    70    76    77   0.23400  1.0 3.0
   71    70    76    78   0.23400  1.0 3.0
   71    70    76    79   0.23400  1.0 3.0
   72    70    71    46   0.06250  1.0 1.0
   72    70    71    46  -0.01100 -1.0 2.0
   72    70    71    46   0.28050  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    71    46   0.06250  1.0 1.0
   76    70    71    46  -0.01100 -1.0 2.0
   76    70    71    46   0.28050  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   61    50    58    59   0.23400  1.0 3.0
   61    50    58    60   0.23400  1.0 3.0
   61    50    58    67   0.86500  1.0 1.0
   61    50    58    67  -0.17500 -1.0 2.0
   61    50    58    67   0.20800  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   0.56750  1.0 1.0
   52    46    50    58  -0.07550 -1.0 2.0
   52    46    50    58   0.20000  1.0 3.0
   52    46    50    61   0.86500  1.0 1.0
   52    46    50    61  -0.17500 -1.0 2.0
   52    46    50    61   0.20800  1.0 3.0
   52    46    71    70   0.06250  1.0 1.0
   52    46    71    70  -0.01100 -1.0 2.0
   52    46    71    70   0.28050  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
END
