* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    118    176     349
    1     0 S   NP   _N1_     1    29.13195    92.73331   -21.43777
    2     1 S   H    _HN1     2     1.02777    96.36779   -74.31703
    3     1 S   H    _H1_     3     1.02958    96.21550    35.01690
    4     1 S   H    _H2_     4     1.02843    19.99090   159.14329
    5     1 S   CT   _CA1     5     1.50103   130.70222   158.86893
    6     5 S   HC   _HA1     6     1.09575   105.24059    59.24950
    7     5 S   CO3  _C1_     7     1.53782   112.36345   -60.99685
    8     7 S   O2Z  _O11     8     1.26358   114.98543   -44.51984
    9     7 S   O2Z  _O12     9     1.26233   114.91502   134.70207
   10     5 S   CT   _CB1    10     1.53117   107.48632   177.19390
   11    10 S   HC   HB11    11     1.09824   109.37507   -50.68732
   12    10 S   HC   HB12    12     1.09824   110.43478    65.88791
   13    10 S   CT   _CG1    13     1.53028   112.61925  -171.76169
   14    13 S   HC   HG11    14     1.09594   110.45495   -63.49310
   15    13 S   HC   HG12    15     1.09651   109.97715    55.73342
   16    13 S   C    _CD1    16     1.51796   112.32276   176.14080
   17    16 S   O    _OE1    17     1.22807   123.22864    -0.79893
   18    16 S   N    _N2_    18     1.38727   111.65617   178.98760
   19    18 S   H    _HN2    19     1.01615   119.03832    -0.46182
   20    18 S   CT1  _CA2    20     1.46116   123.29863  -179.87489
   21    20 S   HC   _HA2    21     1.09547   108.79396   -19.77861
   22    20 S   C    _C2_    22     1.53420   108.66954  -134.55722
   23    22 S   O    _O2_    23     1.23007   122.21827  -147.65605
   24    20 S   CT   _CB2    32     1.53592   112.19182   102.81448
   25    24 S   HC   HB21    33     1.09658   109.43203    62.78563
   26    24 S   HC   HB22    34     1.09563   110.85921   179.93147
   27    22 S   N    _N3_    24     1.38513   113.30790    40.08956
   28    27 S   H    _HN3    25     1.01518   118.93850    -0.86818
   29    24 S   S    _SG2    35     1.82879   114.90356   -56.83480
   30    27 S   CT   _CA3    26     1.45439   123.33883   174.03777
   31    30 S   HC   HA31    27     1.09531   109.04590    27.44983
   32    30 S   HC   HA32    28     1.09484   107.14337   144.53683
   33    29 S   CT   _C9_    36     1.83253   100.06139   -68.72764
   34    33 S   HC   _H7_    37     1.09372   108.07854    47.74797
   35    30 S   CO3  _C3_    29     1.53001   113.40820   -95.77670
   36    35 S   O2Z  _O31    30     1.26388   115.63898   -36.36223
   37    35 S   O2Z  _O32    31     1.26385   114.80353   144.54774
   38    33 S   CT   _C8_    38     1.53767   109.56494   166.78876
   39    38 S   HC   _H6_    39     1.09602   109.65858    56.69110
   40    38 S   CT   _C7_    40     1.54020   109.74302   177.09431
   41    40 S   HC   _H5_    41     1.09823   108.42576    69.98331
   42    38 S   OH   _O34    63     1.42928   111.59067   -62.91713
   43    42 S   HO   _H11    64     0.97450   108.63561   -35.46021
   44    40 S   CT   _C6_    42     1.53674   111.54267   -51.03890
   45    44 S   HC   _H4_    43     1.09560   110.01091   -68.43903
   46    40 S   NP   _N4_    53     1.53686   108.77829  -176.95021
   47    46 S   H    _H12    54     1.03060   104.36563   -37.29272
   48    44 S   CT   _C5_    44     1.53840   109.82841    50.84756
   49    48 S   HC   _H3_    45     1.09810   110.48834    65.40036
   50    44 S   OH   _O35    51     1.42330   110.81946   172.12835
   51    50 S   HO   _H19    52     0.97278   108.42598   -65.46458
   52    46 S   CT   _C10    55     1.50529   116.33571    78.42852
   53    52 S   HC   _H13    56     1.09274   108.96458    72.22002
   54    52 S   HC   _H14    57     1.09365   107.69802  -168.16689
   55    52 S   HC   _H15    58     1.09131   108.98378   -49.45070
   56    46 S   CT   _C11    59     1.50695   113.54703  -150.78932
   57    56 S   HC   _H16    60     1.09146   109.17476   -71.01512
   58    56 S   HC   _H17    61     1.09288   108.40753    50.46237
   59    56 S   HC   _H18    62     1.09360   107.79255   168.96065
   60    33 S   OS   _O33    46     1.42715   110.17055   -71.84761
   61    48 S   CT   _C4_    47     1.52541   111.70496  -174.85547
   62    61 S   HC   _H8_    48     1.09562   110.93282    60.21165
   63    61 S   HC   _H9_    49     1.09393   111.71038   -61.30157
   64    61 S   HC   _H10    50     1.09557   110.26022   178.06144
  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   8   5   4   3
  13   6   2   1   1  14   7  21   9   4   1  14   7  11   8   8
   6   3   1   7   3   2   1   3   2   1   1   4   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    60    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    60    61    46    42    43  
   38    39    40    48    60    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    60    50    46    47    52    56    42    43  
   40    41    44    60    46    42    43  
   41    44    45    48    49    60    61    50    51    46    47    52    53    54    55    56    57    58    59    42    43  
   44    45    48    50    46    47    52    56    42  
   43    44    46    60  
    0  
   45    48    49    60    61    62    63    64    50    51    46    47    52    56  
   48    49    60    61    50    51    46  
   47    52    53    54    55    56    57    58    59    48    50  
   52    53    54    55    56    57    58    59  
   49    60    61    62    63    64    50    51  
   60    61    62    63    64    50  
   51    60    61  
    0  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    64  
   62    63    64  
   63    64  
   64  
    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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.6450   1.4500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   47   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   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    60   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   367.000  1.471
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   320.000  1.410
   48    49   340.000  1.090
   48    60   320.000  1.410
   48    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   553.000  0.945
   46    47   434.000  1.010
   46    52   367.000  1.471
   46    56   367.000  1.471
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   42    43   553.000  0.945
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    60    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    60    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    80.00000  111.20000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    52    75.00000  113.01200
   40    46    56    75.00000  113.01200
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    60    50.00000  109.50000
   44    48    61    58.35000  112.70000
   44    50    51    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    61    62    37.50000  110.70000
   48    61    63    37.50000  110.70000
   48    61    64    37.50000  110.70000
   60    33    34    35.00000  109.50000
   60    33    38    50.00000  109.50000
   60    48    49    35.00000  109.50000
   61    48    49    37.50000  110.70000
   61    48    60    50.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    48    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    80.00000  111.20000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   46    56    57    35.00000  109.50000
   46    56    58    35.00000  109.50000
   46    56    59    35.00000  109.50000
   52    46    47    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    47    35.00000  109.50000
   56    46    52    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    60    48   0.14700  1.0 1.0
   29    33    60    48  -1.16150 -1.0 2.0
   29    33    60    48   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   1.36600  1.0 1.0
   33    38    40    46  -0.11450 -1.0 2.0
   33    38    40    46   0.24250  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  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    42   0.23400  1.0 3.0
   34    33    60    48   0.37050  1.0 3.0
   38    33    60    48   0.06250  1.0 1.0
   38    33    60    48  -0.01100 -1.0 2.0
   38    33    60    48   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.56750  1.0 1.0
   38    40   -44    48  -0.07550 -1.0 2.0
   38    40   -44    48   0.20000  1.0 3.0
   38    40    44    50   0.86500  1.0 1.0
   38    40    44    50  -0.17500 -1.0 2.0
   38    40    44    50   0.20800  1.0 3.0
   38    40    46    47   0.17350  1.0 3.0
   38    40    46    52   0.47100  1.0 1.0
   38    40    46    56   0.47100  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.19200  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44    48    60   0.62750  1.0 1.0
   40    44    48    60  -0.30950 -1.0 2.0
   40    44    48    60   0.27300  1.0 3.0
   40    44    48    61   0.56750  1.0 1.0
   40    44    48    61  -0.07550 -1.0 2.0
   40    44    48    61   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   40    46    56    57   0.15000  1.0 3.0
   40    46    56    58   0.15000  1.0 3.0
   40    46    56    59   0.15000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    47   0.13050  1.0 3.0
   41    40    46    52   0.15000  1.0 3.0
   41    40    46    56   0.15000  1.0 3.0
   44    40    46    47   0.17350  1.0 3.0
   44    40    46    52   0.47100  1.0 1.0
   44    40    46    56   0.47100  1.0 1.0
   44    48   -60    33   0.06250  1.0 1.0
   44    48   -60    33  -0.01100 -1.0 2.0
   44    48   -60    33   0.28050  1.0 3.0
   44    48    61    62   0.15000  1.0 3.0
   44    48    61    63   0.15000  1.0 3.0
   44    48    61    64   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    60   0.23400  1.0 3.0
   45    44    48    61   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   48    44    50    51  -0.11600  1.0 1.0
   48    44    50    51  -0.09450 -1.0 2.0
   48    44    50    51   0.21250  1.0 3.0
   49    48    60    33   0.37050  1.0 3.0
   49    48    61    62   0.15000  1.0 3.0
   49    48    61    63   0.15000  1.0 3.0
   49    48    61    64   0.15000  1.0 3.0
   60    33    38    39   0.23400  1.0 3.0
   60    33   -38    40   0.62750  1.0 1.0
   60    33   -38    40  -0.30950 -1.0 2.0
   60    33   -38    40   0.27300  1.0 3.0
   60    33    38    42   3.69350  1.0 1.0
   60    33    38    42  -1.82950 -1.0 2.0
   60    48    61    62   0.23400  1.0 3.0
   60    48    61    63   0.23400  1.0 3.0
   60    48    61    64   0.23400  1.0 3.0
   61    48    60    33   0.06250  1.0 1.0
   61    48    60    33  -0.01100 -1.0 2.0
   61    48    60    33   0.28050  1.0 3.0
   50    44    48    49   0.23400  1.0 3.0
   50    44    48    60   3.69350  1.0 1.0
   50    44    48    60  -1.82950 -1.0 2.0
   50    44    48    61   0.86500  1.0 1.0
   50    44    48    61  -0.17500 -1.0 2.0
   50    44    48    61   0.20800  1.0 3.0
   46    40    44    45   0.19200  1.0 3.0
   46    40    44    48   1.36600  1.0 1.0
   46    40    44    48  -0.11450 -1.0 2.0
   46    40    44    48   0.24250  1.0 3.0
   46    40    44    50   1.69300  1.0 1.0
   46    40    44    50  -0.48450 -1.0 2.0
   47    46    52    53   0.13050  1.0 3.0
   47    46    52    54   0.13050  1.0 3.0
   47    46    52    55   0.13050  1.0 3.0
   47    46    56    57   0.13050  1.0 3.0
   47    46    56    58   0.13050  1.0 3.0
   47    46    56    59   0.13050  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   52    46    56    59   0.15000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    54   0.15000  1.0 3.0
   56    46    52    55   0.15000  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   1.69300  1.0 1.0
   42    38    40    46  -0.48450 -1.0 2.0
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
