* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    110    168     329
    1     0 S   NP   _N1_     1    29.02430    96.05674   -24.96038
    2     1 S   H    _HN1     2     1.02944    73.99063    -1.78936
    3     1 S   H    _H1_     3     1.02824    33.13310  -179.69804
    4     1 S   H    _H2_     4     1.02801   120.40159  -104.03843
    5     1 S   CT   _CA1     5     1.50139   122.64047   102.53143
    6     5 S   HC   _HA1     6     1.09573   105.13803    94.07756
    7     5 S   CO3  _C1_     7     1.53747   112.48322   -26.13267
    8     7 S   O2Z  _O11     8     1.26382   114.99619   -42.08516
    9     7 S   O2Z  _O12     9     1.26228   114.94310   136.85873
   10     5 S   CT   _CB1    10     1.53043   107.40275  -147.93753
   11    10 S   HC   HB11    11     1.09850   109.30809   -48.98158
   12    10 S   HC   HB12    12     1.09810   110.48748    67.59685
   13    10 S   CT   _CG1    13     1.53060   112.67531  -169.87809
   14    13 S   HC   HG11    14     1.09556   110.84303   -68.95416
   15    13 S   HC   HG12    15     1.09664   109.61319    50.30227
   16    13 S   C    _CD1    16     1.51824   111.66056   170.90387
   17    16 S   O    _OE1    17     1.22781   123.01186    18.94556
   18    16 S   N    _N2_    18     1.38642   112.02932  -161.04064
   19    18 S   H    _HN2    19     1.01574   119.08901     0.44850
   20    18 S   CT1  _CA2    20     1.46207   123.29437   175.46629
   21    20 S   HC   _HA2    21     1.09749   109.11244    11.13593
   22    20 S   C    _C2_    22     1.53849   109.79193  -104.37444
   23    22 S   O    _O2_    23     1.23142   122.02180  -155.22501
   24    20 S   CT   _CB2    32     1.53271   111.55524   133.04897
   25    24 S   HC   HB21    33     1.09591   110.25742    54.40683
   26    24 S   HC   HB22    34     1.09208   109.83783   173.21175
   27    22 S   N    _N3_    24     1.38227   114.19254    32.19582
   28    27 S   H    _HN3    25     1.01505   119.61180    -3.60391
   29    24 S   S    _SG2    35     1.82633   111.60355   -66.45846
   30    27 S   CT   _CA3    26     1.45266   123.39526   177.09734
   31    30 S   HC   HA31    27     1.09547   107.58480   -63.22109
   32    30 S   HC   HA32    28     1.09552   107.93836    53.25745
   33    29 S   CT   _C6_    36     1.85362    99.48612  -176.67628
   34    33 S   HC   _H4_    37     1.09628   105.66303   -26.88708
   35    30 S   CO3  _C3_    29     1.52993   113.96174   175.20323
   36    35 S   O2Z  _O31    30     1.26400   116.07671    -0.05935
   37    35 S   O2Z  _O32    31     1.26421   114.42241   179.98022
   38    33 S   CT   _C5_    38     1.54792   111.09495  -144.49159
   39    38 S   HC   _H3_    39     1.10164   106.50101   170.16869
   40    38 S   CT   _C4_    40     1.53700   112.45045   -74.13047
   41    40 S   HC   _H8_    41     1.09738   111.25032    68.31975
   42    40 S   HC   _H9_    42     1.09800   110.10888  -175.77274
   43    38 S   CO3  _C10    59     1.54614   113.14680    57.26287
   44    43 S   O2Z  _O40    60     1.26518   114.88321    48.61475
   45    43 S   O2Z  _O39    61     1.26270   116.18637  -132.85932
   46    40 S   CT   _C9_    43     1.53146   111.42818   -55.10577
   47    46 S   HC   _H7_    44     1.09709   109.02520   -64.31190
   48    46 S   CT   _C8_    45     1.53047   112.02182    56.20482
   49    48 S   HC   _H6_    46     1.09618   110.10493  -176.53378
   50    46 S   OH   _O33    57     1.42497   110.07492   178.58570
   51    50 S   HO   _H10    58     0.97210   107.53884    53.46743
   52    33 S   CT   _C7_    47     1.54950   113.37672    91.23725
   53    52 S   HC   _H5_    48     1.09896   107.05276  -169.28674
   54    48 S   OH   _O34    55     1.42856   109.63009    67.64741
   55    54 S   HO   _H11    56     0.97324   106.85249  -168.42027
   56    52 S   OS   _O35    49     1.42494   111.37708   -51.22812
   57    56 S   P2   _P1_    50     1.63019   118.72081  -104.41308
   58    57 S   O2Z  _O38    51     1.51112   109.12379   -73.15954
   59    57 S   O2Z  _O36    52     1.51114   109.30330    61.56551
   60    57 S   OS   _O37    53     1.63006    98.38859   173.77250
   61    60 S   HO   _H12    54     0.97964   116.18467   -80.38379
  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  14   8  13   6   5   4   1   1  10   6   9
   6   3   1   8   3   2   1   5   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    52    53    56    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    48    49    52    53    56    57    54    43    44    45  
   38    39    40    48    52    53    56    43  
   36    37  
   37  
    0  
   39    40    41    42    46    47    48    52    53    56    50    43    44    45  
   40    41    42    46    52    43    44    45  
   41    42    46    47    48    49    52    54    50    51    43    44    45  
   42    46    47    48    50    43  
   46    47    48    50    43  
   44    45    46    52  
   45  
    0  
   47    48    49    52    53    56    54    55    50    51  
   48    49    52    54    50    51  
   49    52    53    56    57    54    55    50    51  
   52    53    56    54    55    50  
   51    52    54  
    0  
   53    56    57    58    59    60    54    55  
   56    57    54  
   55    56  
    0  
   57    58    59    60    61  
   58    59    60    61  
   59    60    61  
   60    61  
   61  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   57   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   58   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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    52   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    54   320.000  1.410
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    57   230.000  1.697
   57    58   525.000  1.480
   57    59   525.000  1.480
   57    60   230.000  1.697
   60    61   553.000  0.945
   54    55   553.000  0.945
   50    51   553.000  0.945
   43    44   656.000  1.250
   43    45   656.000  1.250
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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    70.00000  109.69300
   33    52    48    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    46    58.35000  112.70000
   38    43    44    70.00000  117.00000
   38    43    45    70.00000  117.00000
   40    38    39    37.50000  110.70000
   40    46    47    37.50000  110.70000
   40    46    48    58.35000  112.70000
   40    46    50    50.00000  109.50000
   42    40    41    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    42    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    48    54    50.00000  109.50000
   46    50    51    55.00000  108.50000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    56    50.00000  109.50000
   48    54    55    55.00000  108.50000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    48    49    37.50000  110.70000
   52    56    57   100.00000  120.50000
   56    52    53    35.00000  109.50000
   56    57    58   100.00000  108.23000
   56    57    59   100.00000  108.23000
   56    57    60    45.00000  102.60000
   57    60    61    45.00000  108.50000
   59    57    58   140.00000  119.90000
   60    57    58   100.00000  108.23000
   60    57    59   100.00000  108.23000
   54    48    49    35.00000  109.50000
   54    48    52    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    70.00000  109.69300
   45    43    44    80.00000  126.00000
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    46   0.56750  1.0 1.0
   33    38    40    46  -0.07550 -1.0 2.0
   33    38    40    46   0.20000  1.0 3.0
   33    38    43    44   0.41150 -1.0 2.0
   33    38    43    45   0.41150 -1.0 2.0
   33    52    56    57  -2.65550  1.0 1.0
   33    52    56    57  -0.22350 -1.0 2.0
   33    52    56    57   0.24150  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    43  -0.11250  1.0 3.0
   34    33    52    48   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    56   0.23400  1.0 3.0
   38    33    52    48   0.56750  1.0 1.0
   38    33    52    48  -0.07550 -1.0 2.0
   38    33    52    48   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  1.0 3.0
   38    40    46    47   0.15000  1.0 3.0
   38    40   -46    48   0.56750  1.0 1.0
   38    40   -46    48  -0.07550 -1.0 2.0
   38    40   -46    48   0.20000  1.0 3.0
   38    40    46    50   0.86500  1.0 1.0
   38    40    46    50  -0.17500 -1.0 2.0
   38    40    46    50   0.20800  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    46   0.15000  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   40    38    43    44   0.41150 -1.0 2.0
   40    38    43    45   0.41150 -1.0 2.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    52   0.56750  1.0 1.0
   40    46    48    52  -0.07550 -1.0 2.0
   40    46    48    52   0.20000  1.0 3.0
   40    46    48    54   0.86500  1.0 1.0
   40    46    48    54  -0.17500 -1.0 2.0
   40    46    48    54   0.20800  1.0 3.0
   40    46    50    51  -0.11600  1.0 1.0
   40    46    50    51  -0.09450 -1.0 2.0
   40    46    50    51   0.21250  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    50   0.23400  1.0 3.0
   42    40    46    47   0.15000  1.0 3.0
   42    40    46    48   0.15000  1.0 3.0
   42    40    46    50   0.23400  1.0 3.0
   46    48   -52    33   0.56750  1.0 1.0
   46    48   -52    33  -0.07550 -1.0 2.0
   46    48   -52    33   0.20000  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    56   0.62750  1.0 1.0
   46    48    52    56  -0.30950 -1.0 2.0
   46    48    52    56   0.27300  1.0 3.0
   46    48    54    55  -0.11600  1.0 1.0
   46    48    54    55  -0.09450 -1.0 2.0
   46    48    54    55   0.21250  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    48    54   0.23400  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    46    50    51  -0.11600  1.0 1.0
   48    46    50    51  -0.09450 -1.0 2.0
   48    46    50    51   0.21250  1.0 3.0
   48    52    56    57  -2.65550  1.0 1.0
   48    52    56    57  -0.22350 -1.0 2.0
   48    52    56    57   0.24150  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    56   0.23400  1.0 3.0
   49    48    54    55   0.19450  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40   0.56750  1.0 1.0
   52    33   -38    40  -0.07550 -1.0 2.0
   52    33   -38    40   0.20000  1.0 3.0
   52    33    38    43  -1.63150  1.0 1.0
   52    33    38    43  -0.43550 -1.0 2.0
   52    33    38    43   0.24500  1.0 3.0
   52    48    54    55  -0.11600  1.0 1.0
   52    48    54    55  -0.09450 -1.0 2.0
   52    48    54    55   0.21250  1.0 3.0
   52    56    57    58   0.00000  1.0 1.0
   52    56    57    59   0.00000  1.0 1.0
   52    56    57    60   0.05050  1.0 1.0
   52    56    57    60  -1.30700 -1.0 2.0
   52    56    57    60   0.91550  1.0 3.0
   53    52    56    57   0.03000  1.0 3.0
   56    57    60    61   0.00000  1.0 1.0
   58    57    60    61   0.00000  1.0 1.0
   59    57    60    61   0.00000  1.0 1.0
   54    48    52    33   0.86500  1.0 1.0
   54    48    52    33  -0.17500 -1.0 2.0
   54    48    52    33   0.20800  1.0 3.0
   54    48    52    53   0.23400  1.0 3.0
   54    48    52    56   3.69350  1.0 1.0
   54    48    52    56  -1.82950 -1.0 2.0
   50    46    48    49   0.23400  1.0 3.0
   50    46    48    52   0.86500  1.0 1.0
   50    46    48    52  -0.17500 -1.0 2.0
   50    46    48    52   0.20800  1.0 3.0
   50    46    48    54   3.75450  1.0 1.0
   43    38    40    41  -0.11250  1.0 3.0
   43    38    40    42  -0.11250  1.0 3.0
   43    38    40    46  -1.63150  1.0 1.0
   43    38    40    46  -0.43550 -1.0 2.0
   43    38    40    46   0.24500  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
   44    38    43    45  10.50000 -1.0 2.0
END
