* LIGAND DATABASE FILE (OPLS2005)
*
001      91    94    174    272     509
    1     0 S   NP   _N1_     1    28.84910    96.60490   -21.74019
    2     1 S   H    _HN1     2     1.02945    44.32961   150.58535
    3     1 S   H    _H1_     3     1.02801    89.90077   -93.54000
    4     1 S   H    _H2_     4     1.02862    75.30144    15.30153
    5     1 S   CT   _CA1     5     1.50388   152.25066   123.18310
    6     5 S   HC   _HA1     6     1.09713   104.67017    82.65173
    7     5 S   CO3  _C1_     7     1.54508   110.87191   -33.36583
    8     7 S   O2Z  _O11     8     1.26068   116.60233  -110.14646
    9     7 S   O2Z  _O12     9     1.26511   113.92398    68.36202
   10     5 S   CT   _CB1    10     1.53291   107.06354  -161.51230
   11    10 S   HC   HB11    11     1.09808   110.04576   -45.68555
   12    10 S   HC   HB12    12     1.09760   110.36275    71.25171
   13    10 S   CT   _CG1    13     1.52790   111.75713  -166.25193
   14    13 S   HC   HG11    14     1.09375   110.00343   -58.61722
   15    13 S   HC   HG12    15     1.09649   109.93423    60.41161
   16    13 S   C    _CD1    16     1.51620   113.38634  -178.27104
   17    16 S   O    _OE1    17     1.22647   123.48451    -0.70721
   18    16 S   N    _N2_    18     1.38747   111.10002   178.44066
   19    18 S   H    _HN2    19     1.01476   119.13335     5.04819
   20    18 S   CT1  _CA2    20     1.46218   123.78961  -175.30043
   21    20 S   HC   _HA2    21     1.09701   109.30596    -4.99332
   22    20 S   C    _C2_    22     1.53421   109.17662  -121.22245
   23    22 S   O    _O2_    23     1.23052   122.10900  -154.88471
   24    20 S   CT   _CB2    32     1.53590   110.89688   116.82849
   25    24 S   HC   HB21    33     1.09485   109.47335    59.34742
   26    24 S   HC   HB22    34     1.09503   110.59791   178.25954
   27    22 S   N    _N3_    24     1.38254   113.77433    32.02610
   28    27 S   H    _HN3    25     1.01615   119.34144    -2.47473
   29    24 S   S    _SG2    35     1.82709   111.07999   -61.60679
   30    27 S   CT   _CA3    26     1.45275   123.40131   177.99865
   31    30 S   HC   HA31    27     1.09538   107.33180   -70.73149
   32    30 S   HC   HA32    28     1.09553   108.26637    45.82400
   33    29 S   CT   _C24    36     1.83815   100.18542   172.27076
   34    33 S   HC   _H7_    37     1.09394   104.31593    53.23442
   35    30 S   CO3  _C3_    29     1.52981   113.95368   167.95602
   36    35 S   O2Z  _O31    30     1.26388   116.03272    -0.78285
   37    35 S   O2Z  _O32    31     1.26414   114.43161   179.32218
   38    33 S   CM   _C21    38     1.54015   112.04799   -69.86449
   39    33 S   OS   _O35    87     1.43485   109.19151   169.26479
   40    38 S   CMA  _C22    39     1.37074   121.42816   119.40591
   41    40 S   OM   _O33    40     1.26874   125.91413   178.35515
   42    38 S   CT   _C20    46     1.55237   114.98075   -61.24333
   43    42 S   HC   _H6_    47     1.09941   106.95788    -0.11869
   44    39 S   CT   _C25    88     1.42208   112.64594  -135.85778
   45    44 S   HC   _H29    89     1.09320   108.27724  -176.12111
   46    44 S   HC   _H30    90     1.09424   110.26896    65.27152
   47    44 S   HC   _H31    91     1.09406   110.86321   -56.99991
   48    40 S   OS   _O34    41     1.41920   111.77010     0.07913
   49    42 S   CT   _C19    48     1.54837   111.14994   115.05610
   50    49 S   HC   _H24    49     1.09663   110.99899    65.83024
   51    49 S   HC   _H25    50     1.09633   109.47988   -50.97391
   52    42 S   CT   _C6_    78     1.56097   116.62305  -117.21019
   53    52 S   HC   _H3_    79     1.09730   109.20724   -66.38206
   54    48 S   CT   _C23    42     1.42770   113.94357  -137.79968
   55    54 S   HC   _H26    43     1.09400   107.74210   170.57343
   56    54 S   HC   _H27    44     1.09544   111.12450    52.40380
   57    54 S   HC   _H28    45     1.09473   111.01811   -71.46775
   58    49 S   CT   _C18    51     1.52632   111.68778  -172.27961
   59    58 S   HC   _H5_    52     1.09687   110.32918    59.06968
   60    52 S   CT   _C5_    80     1.54355   112.08592    52.86228
   61    60 S   HC   _H11    81     1.09475   109.43104   -57.79462
   62    60 S   HC   _H12    82     1.09638   110.04115    59.75964
   63    58 S   C5A  _C17    53     1.49312   113.85088  -177.70800
   64    60 S   CT   _C4_    83     1.52342   114.06178  -177.56097
   65    64 S   HC   _H8_    84     1.09366   111.67452   -68.96045
   66    64 S   HC   _H9_    85     1.09499   109.92208   172.05881
   67    64 S   HC   _H10    86     1.09443   111.09452    52.56983
   68    63 S   C5B  _C10    54     1.37996   125.16434   141.01731
   69    63 S   NA   _N5_    65     1.36528   126.64326   -40.70261
   70    69 S   H    _H23    66     1.00982   125.65391     2.43960
   71    68 S   C56B _C11    55     1.42257   107.59310   177.09674
   72    68 S   CT   _C9_    67     1.49010   122.00084    -3.60130
   73    72 S   HC   _H17    68     1.09560   110.51777   137.86563
   74    72 S   HC   _H18    69     1.09704   108.52396  -104.68984
   75    71 S   CA   _C12    56     1.40917   134.46193  -179.40488
   76    75 S   HA   _H19    57     1.08616   120.75941    -0.02798
   77    72 S   CT   _C8_    70     1.53850   111.82383    15.85286
   78    77 S   HC   _H15    71     1.09619   111.97259    73.77492
   79    77 S   HC   _H16    72     1.09485   110.34471  -163.98322
   80    75 S   CA   _C13    58     1.39966   119.27095   179.69804
   81    80 S   HA   _H20    59     1.08691   119.51125  -179.82529
   82    58 S   NP   _N4_    73     1.53327   108.22241   -56.73703
   83    82 S   H    _H4_    74     1.02979   107.17211   -57.79645
   84    80 S   CA   _C14    60     1.39335   120.78263     0.12511
   85    84 S   HA   _H21    61     1.08719   119.56835  -180.00000
   86    82 S   CT   _C7_    75     1.50627   112.58445    59.28785
   87    86 S   HC   _H13    76     1.09394   106.15962   179.31472
   88    86 S   HC   _H14    77     1.09597   107.72609    62.23184
   89    84 S   CA   _C15    62     1.39754   121.03898     0.08847
   90    89 S   HA   _H22    63     1.08518   120.93846   179.85463
   91    71 S   C56A _C16    64     1.39817   106.88491     0.60198
  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   7   5   4   3
  14   5   2   1   1  16   6  10   3  18   8   3   2   1   1   4
  14   6   5  15   8   3   2   1   1  16   7  10   6   5  14   4
   2   1   1  15   9   3  12  10   5   4   7   4   7   4   3   6
   3   4   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    86    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    63    82    86    87    88    52    53    60    61    62    64    48  
   49    50    51    58    86    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    63    68    69    77    82    83    86    52    53    60  
   51    58    59    63    82    52  
   58    59    63    82    52  
   53    60    61    62    64    65    66    67    58    77    82    83    86    87    88  
   60    61    62    64    82    86    87    88  
   55    56    57  
   56    57  
   57  
    0  
   59    63    68    71    91    69    70    72    77    78    79    82    83    86    87    88  
   63    68    69    77    82    83    86  
   61    62    64    65    66    67    82    86    87    88  
   62    64    65    66    67    86  
   64    65    66    67    86  
   68    71    75    89    91    69    70    72    73    74    77    82    83    86  
   65    66    67    86  
   66    67  
   67  
    0  
   71    75    76    80    89    91    69    70    72    73    74    77    78    79    82  
   70    72    82    71    75    84    89    90    91  
   71    89    91  
   75    76    80    81    84    89    90    91    72    73    74    77  
   73    74    77    78    79    82    83    86    75    91  
   74    77    78    79    82  
   77    78    79    82  
   76    80    81    84    85    89    91  
   80    81    84    91  
   78    79    82    83    86    87    88  
   79    82    83    86  
   82    83    86  
   81    84    85    89    90    91  
   84    85    89  
   83    86    87    88  
   86    87    88  
   85    89    90    91  
   89    90    91  
   87    88  
   88  
    0  
   90    91  
   91  
    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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   82   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   83   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   89   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   91   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    63   295.000  1.489
   58    82   367.000  1.471
   63    68   520.000  1.370
   63    69   427.000  1.381
   68    71   380.000  1.440
   68    72   295.000  1.494
   71    75   469.000  1.404
   71    91   447.000  1.419
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    84   469.000  1.400
   84    85   367.000  1.080
   84    89   469.000  1.400
   89    90   367.000  1.080
   89    91   469.000  1.400
   91    69   428.000  1.380
   69    70   434.000  1.010
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   367.000  1.471
   82    83   434.000  1.010
   82    86   367.000  1.471
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    52   268.000  1.529
   52    53   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    86    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    70.00000  113.44400
   49    58    82    80.00000  111.20000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    63    68    55.00000  130.44200
   58    63    69    65.00000  122.56900
   58    82    77    75.00000  113.01200
   58    82    83    35.00000  109.50000
   58    82    86    75.00000  113.01200
   63    58    59    45.00000  110.47400
   63    68    71    80.00000  105.82900
   63    68    72    55.00000  127.77900
   63    69    91    90.00000  107.14200
   63    69    70    35.00000  120.00000
   68    71    75    50.00000  134.85500
   68    71    91    80.00000  107.43600
   68    72    73    45.00000  111.11700
   68    72    74    45.00000  111.11700
   68    72    77    70.00000  112.62400
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    91    89    85.00000  122.70000
   71    91    69    70.00000  104.40000
   75    80    81    35.00000  120.00000
   75    80    84    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    84    85    35.00000  120.00000
   80    84    89    63.00000  120.00000
   84    80    81    35.00000  120.00000
   84    89    90    35.00000  120.00000
   84    89    91    85.00000  120.00000
   89    84    85    35.00000  120.00000
   89    91    69    70.00000  132.80000
   91    71    75    85.00000  116.20000
   91    89    90    35.00000  120.00000
   91    69    70    35.00000  123.10000
   69    63    68    70.00000  106.30000
   72    68    71    55.00000  128.73000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    80.00000  111.20000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    83    35.00000  109.50000
   77    82    86    75.00000  113.01200
   79    77    78    33.00000  107.80000
   82    58    59    35.00000  109.50000
   82    58    63    75.00000  111.64000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    52    80.00000  111.20000
   86    82    83    35.00000  109.50000
   86    52    53    37.50000  110.70000
   86    52    60    58.35000  112.70000
   88    86    87    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    86    87    37.50000  110.70000
   52    86    88    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   60    52    53    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    86   0.34400  1.0 1.0
   38    42    52    86   0.09450 -1.0 2.0
   38    42    52    86   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.34400  1.0 1.0
   38    42    52    60   0.09450 -1.0 2.0
   38    42    52    60   0.11100  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    63  -0.03700  1.0 1.0
   42    49    58    63   0.37200 -1.0 2.0
   42    49    58    63  -0.47300  1.0 3.0
   42    49    58    82   1.36600  1.0 1.0
   42    49    58    82  -0.11450 -1.0 2.0
   42    49    58    82   0.24250  1.0 3.0
   42    52    60    61   0.15000  1.0 3.0
   42    52    60    62   0.15000  1.0 3.0
   42    52    60    64   0.56750  1.0 1.0
   42    52    60    64  -0.07550 -1.0 2.0
   42    52    60    64   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    86   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    86   0.56750  1.0 1.0
   49    42    52    86  -0.07550 -1.0 2.0
   49    42    52    86   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.56750  1.0 1.0
   49    42    52    60  -0.07550 -1.0 2.0
   49    42    52    60   0.20000  1.0 3.0
   49    58    63    68   0.04150 -1.0 2.0
   49    58    63    69   0.39850  1.0 1.0
   49    58    63    69   0.06450 -1.0 2.0
   49    58    63    69   0.32400  1.0 3.0
   49    58    82    77   0.47100  1.0 1.0
   49    58    82    83   0.17350  1.0 3.0
   49    58   -82    86   0.47100  1.0 1.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.43200  1.0 3.0
   50    49    58    82   0.19200  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    63   0.43200  1.0 3.0
   51    49    58    82   0.19200  1.0 3.0
   58    63    68    71   3.62500 -1.0 2.0
   58    63    68    72   3.62500 -1.0 2.0
   58    63    69    91   3.62500 -1.0 2.0
   58    63    69    70   2.00000 -1.0 2.0
   58    82    86    87   0.15000  1.0 3.0
   58    82    86    88   0.15000  1.0 3.0
   58    82    86    52   0.47100  1.0 1.0
   59    58    63    68   0.00000  1.0 1.0
   59    58    63    69   0.00000  1.0 1.0
   59    58    82    77   0.15000  1.0 3.0
   59    58    82    83   0.13050  1.0 3.0
   59    58    82    86   0.15000  1.0 3.0
   63    58    82    77   0.03550  1.0 1.0
   63    58    82    77   0.09800 -1.0 2.0
   63    58    82    83   0.17350  1.0 3.0
   63    58    82    86   0.03550  1.0 1.0
   63    58    82    86   0.09800 -1.0 2.0
   63    68    71    75   3.62500 -1.0 2.0
   63    68   -71    91   3.50000 -1.0 2.0
   63    68    72    73   0.00000  1.0 1.0
   63    68    72    74   0.00000  1.0 1.0
   63    68   -72    77   0.04150 -1.0 2.0
   68    63   -69    91   3.62500 -1.0 2.0
   68    63    69    70   1.40000 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   68    71    91    89   3.00000 -1.0 2.0
   68    71   -91    69   3.00000 -1.0 2.0
   68    72    77    78   0.43200  1.0 3.0
   68    72    77    79   0.43200  1.0 3.0
   68    72    77    82   1.24050  1.0 1.0
   68    72    77    82   0.48100 -1.0 2.0
   68    72    77    82   1.08150  1.0 3.0
   71    68    72    73   0.00000  1.0 1.0
   71    68    72    74   0.00000  1.0 1.0
   71    68    72    77   0.04150 -1.0 2.0
   71    75    80    81   3.62500 -1.0 2.0
   71    75    80    84   3.62500 -1.0 2.0
   71    91   -69    63   3.62500 -1.0 2.0
   71    91    69    70   1.52500 -1.0 2.0
   75    71    91    89   3.00000 -1.0 2.0
   75    71    91    69   3.00000 -1.0 2.0
   75    80    84    85   3.62500 -1.0 2.0
   75    80   -84    89   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    84   3.62500 -1.0 2.0
   80    84    89    90   3.62500 -1.0 2.0
   80    84    89    91   3.62500 -1.0 2.0
   81    80    84    85   3.62500 -1.0 2.0
   81    80    84    89   3.62500 -1.0 2.0
   84    89   -91    71   3.62500 -1.0 2.0
   84    89    91    69   3.62500 -1.0 2.0
   85    84    89    90   3.62500 -1.0 2.0
   85    84    89    91   3.62500 -1.0 2.0
   89    91    69    63   3.62500 -1.0 2.0
   89    91    69    70   1.52500 -1.0 2.0
   90    89    91    71   3.62500 -1.0 2.0
   90    89    91    69   3.62500 -1.0 2.0
   91    71    75    76   3.50000 -1.0 2.0
   91    71   -75    80   3.50000 -1.0 2.0
   69    63   -68    71   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   72    68    71    75   3.62500 -1.0 2.0
   72    68    71    91   3.62500 -1.0 2.0
   72    77   -82    58   0.47100  1.0 1.0
   72    77    82    83   0.17350  1.0 3.0
   72    77    82    86   0.47100  1.0 1.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.19200  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    79   0.15000  1.0 3.0
   74    72    77    82   0.19200  1.0 3.0
   77    82    86    87   0.15000  1.0 3.0
   77    82    86    88   0.15000  1.0 3.0
   77    82    86    52   0.47100  1.0 1.0
   78    77    82    58   0.15000  1.0 3.0
   78    77    82    83   0.13050  1.0 3.0
   78    77    82    86   0.15000  1.0 3.0
   79    77    82    58   0.15000  1.0 3.0
   79    77    82    83   0.13050  1.0 3.0
   79    77    82    86   0.15000  1.0 3.0
   82    58   -63    68  -0.46400 -1.0 2.0
   82    58    63    69   0.04300 -1.0 2.0
   82    86   -52    42   1.36600  1.0 1.0
   82    86   -52    42  -0.11450 -1.0 2.0
   82    86   -52    42   0.24250  1.0 3.0
   82    86    52    53   0.19200  1.0 3.0
   82    86    52    60   1.36600  1.0 1.0
   82    86    52    60  -0.11450 -1.0 2.0
   82    86    52    60   0.24250  1.0 3.0
   83    82    86    87   0.13050  1.0 3.0
   83    82    86    88   0.13050  1.0 3.0
   83    82    86    52   0.17350  1.0 3.0
   86    52    60    61   0.15000  1.0 3.0
   86    52    60    62   0.15000  1.0 3.0
   86    52    60    64   0.56750  1.0 1.0
   86    52    60    64  -0.07550 -1.0 2.0
   86    52    60    64   0.20000  1.0 3.0
   87    86    52    42   0.15000  1.0 3.0
   87    86    52    53   0.15000  1.0 3.0
   87    86    52    60   0.15000  1.0 3.0
   88    86    52    42   0.15000  1.0 3.0
   88    86    52    53   0.15000  1.0 3.0
   88    86    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   68    69    63    58   4.00000 -1.0 2.0
   71    72    68    63   4.00000 -1.0 2.0
   75    91    71    68   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   84    81    80    75   1.10000 -1.0 2.0
   89    85    84    80   1.10000 -1.0 2.0
   91    90    89    84   1.10000 -1.0 2.0
   89    69    91    71   4.00000 -1.0 2.0
   70    63    69    91   1.00000 -1.0 2.0
END
