* LIGAND DATABASE FILE (OPLS2005)
*
001      58    58    104    158     311
    1     0 S   NP   _N1_     1    28.05100    96.49186   -20.58567
    2     1 S   H    _HN1     2     1.02775    91.61783  -105.98465
    3     1 S   H    _H1_     3     1.02959    76.47508     2.49348
    4     1 S   H    _H2_     4     1.02834    41.86358   138.58361
    5     1 S   CT   _CA1     5     1.50143   150.13831   109.94340
    6     5 S   HC   _HA1     6     1.09576   105.20104    79.17064
    7     5 S   CO3  _C1_     7     1.53785   112.36679   -40.97739
    8     7 S   O2Z  _O11     8     1.26366   114.99863   -43.38970
    9     7 S   O2Z  _O12     9     1.26238   114.93291   135.64498
   10     5 S   CT   _CB1    10     1.53084   107.40028  -162.94649
   11    10 S   HC   HB11    11     1.09827   109.29821   -50.52420
   12    10 S   HC   HB12    12     1.09816   110.43128    66.01877
   13    10 S   CT   _CG1    13     1.53015   112.69855  -171.60997
   14    13 S   HC   HG11    14     1.09594   110.47132   -64.75705
   15    13 S   HC   HG12    15     1.09656   109.93818    54.45386
   16    13 S   C    _CD1    16     1.51843   112.29937   174.77573
   17    16 S   O    _OE1    17     1.22747   123.26090    -0.32264
   18    16 S   N    _N2_    18     1.38574   111.70599   179.77272
   19    18 S   H    _HN2    19     1.01558   119.00870     4.61244
   20    18 S   CT1  _CA2    20     1.45928   122.87237   177.95522
   21    20 S   HC   _HA2    21     1.09527   108.58350    23.08384
   22    20 S   C    _C2_    22     1.52751   106.43345   -93.94068
   23    22 S   O    _O2_    23     1.23028   122.64428   -36.74377
   24    20 S   CT   _CB2    32     1.53208   111.96566   146.80001
   25    24 S   HC   HB21    33     1.09653   109.91829    51.64816
   26    24 S   HC   HB22    34     1.09560   111.64397   169.47922
   27    22 S   N    _N3_    24     1.38514   112.92598   145.48603
   28    27 S   H    _HN3    25     1.01682   120.25595     0.38512
   29    24 S   S    _SG2    35     1.82862   112.03719   -67.11310
   30    27 S   CT   _CA3    26     1.45421   122.21588   179.46955
   31    30 S   HC   HA31    27     1.09570   107.10874   -70.06230
   32    30 S   HC   HA32    28     1.09577   108.21986    46.12919
   33    29 S   CT   _C9_    36     1.83421   100.18791   -91.52217
   34    33 S   HC   _H7_    37     1.09685   105.78715   -78.87083
   35    30 S   CO3  _C3_    29     1.52889   114.90124   168.31472
   36    35 S   O2Z  _O31    30     1.26334   116.31743    -5.57411
   37    35 S   O2Z  _O32    31     1.26461   114.34136   174.40970
   38    33 S   CT   _C8_    38     1.53767   110.97900   162.46796
   39    38 S   HC   _H6_    39     1.09646   111.17804    59.45383
   40    38 S   CT   _C7_    40     1.53720   109.28044  -179.46295
   41    40 S   HC   _H5_    41     1.09803   107.85176   -68.18027
   42    38 S   OH   _O34    57     1.42980   110.18737   -58.73731
   43    42 S   HO   _H10    58     0.97305   106.97190  -166.49783
   44    40 S   CT   _C6_    42     1.54333   112.94462    51.21302
   45    44 S   HC   _H4_    43     1.09698   108.58999  -170.29653
   46    40 S   OH   _O35    55     1.42622   109.78724   176.10168
   47    46 S   HO   _H11    56     0.97259   107.47890   178.09320
   48    44 S   CT   _C5_    44     1.54198   108.45396   -51.31959
   49    48 S   HC   _H3_    45     1.09894   109.26542   -62.57990
   50    44 S   NTH2 _N4_    52     1.46711   111.31466    72.43656
   51    50 S   H    _H12    53     1.01852   110.22495   170.56606
   52    50 S   H    _H13    54     1.01917   109.57233    53.54412
   53    33 S   OS   _O33    46     1.42940   111.92040    38.90414
   54    48 S   CT   _C4_    47     1.52760   114.06244   176.48008
   55    54 S   HC   _H8_    48     1.09386   111.49950    47.70239
   56    54 S   HC   _H9_    49     1.09490   111.45868   -75.55109
   57    54 S   OH   _O36    50     1.42559   108.19815   166.22883
   58    57 S   HO   _H14    51     0.97626   107.24651   166.32723
  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  12   7  14   7   4   1  13   8   3   1  10
   6   4   1   1   4   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    53    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    53    54    46    42    43  
   38    39    40    48    53    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    53    50    46    47    42    43  
   40    41    44    53    46    42    43  
   41    44    45    48    49    53    54    50    51    52    46    47    42    43  
   44    45    48    50    46    47    42  
   43    44    46    53  
    0  
   45    48    49    53    54    55    56    57    50    51    52    46    47  
   48    49    53    54    50    51    52    46  
   47    48    50  
    0  
   49    53    54    55    56    57    58    50    51    52  
   53    54    55    56    57    50  
   51    52    53    54  
   52  
    0  
   54    55    56    57  
   55    56    57    58  
   56    57    58  
   57    58  
   58  
    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   1.4250   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   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   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   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   1.4250   1.2500   0.008598240   0.268726247
   50   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   51   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   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    53   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   320.000  1.410
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    50   300.000  1.468
   48    49   340.000  1.090
   48    53   320.000  1.410
   48    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   50    51   495.000  1.019
   50    52   495.000  1.019
   46    47   553.000  0.945
   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    53    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    53    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    50.00000  109.50000
   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    80.00000  112.76400
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    53    50.00000  109.50000
   44    48    54    58.35000  112.70000
   44    50    51    50.00000  110.30900
   44    50    52    50.00000  110.30900
   48    44    45    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    50.00000  109.50000
   53    33    34    35.00000  109.50000
   53    33    38    50.00000  109.50000
   53    48    49    35.00000  109.50000
   54    48    49    37.50000  110.70000
   54    48    53    50.00000  109.50000
   54    57    58    55.00000  108.50000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   50    44    45    50.00000  110.79000
   50    44    48    80.00000  112.76400
   52    50    51    40.00000  106.77200
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   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    53   0.13850  1.0 1.0
   24    29    33    53  -1.34450 -1.0 2.0
   24    29    33    53   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    53    48   0.14700  1.0 1.0
   29    33    53    48  -1.16150 -1.0 2.0
   29    33    53    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   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  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    53    48   0.37050  1.0 3.0
   38    33    53    48   0.06250  1.0 1.0
   38    33    53    48  -0.01100 -1.0 2.0
   38    33    53    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   1.85550  1.0 1.0
   38    40    44    50  -0.84100 -1.0 2.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  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    53   0.62750  1.0 1.0
   40    44    48    53  -0.30950 -1.0 2.0
   40    44    48    53   0.27300  1.0 3.0
   40    44    48    54   0.56750  1.0 1.0
   40    44    48    54  -0.07550 -1.0 2.0
   40    44    48    54   0.20000  1.0 3.0
   40    44    50    51   0.21650  1.0 1.0
   40    44    50    51   0.26250 -1.0 2.0
   40    44    50    51   0.12450  1.0 3.0
   40    44    50    52   0.21650  1.0 1.0
   40    44    50    52   0.26250 -1.0 2.0
   40    44    50    52   0.12450  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   0.15000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -53    33   0.06250  1.0 1.0
   44    48   -53    33  -0.01100 -1.0 2.0
   44    48   -53    33   0.28050  1.0 3.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    56   0.15000  1.0 3.0
   44    48    54    57   0.86500  1.0 1.0
   44    48    54    57  -0.17500 -1.0 2.0
   44    48    54    57   0.20800  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    50    51   0.20000  1.0 3.0
   45    44    50    52   0.20000  1.0 3.0
   48    44    50    51   0.21650  1.0 1.0
   48    44    50    51   0.26250 -1.0 2.0
   48    44    50    51   0.12450  1.0 3.0
   48    44    50    52   0.21650  1.0 1.0
   48    44    50    52   0.26250 -1.0 2.0
   48    44    50    52   0.12450  1.0 3.0
   48    54    57    58  -0.11600  1.0 1.0
   48    54    57    58  -0.09450 -1.0 2.0
   48    54    57    58   0.21250  1.0 3.0
   49    48    53    33   0.37050  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48    54    57   0.23400  1.0 3.0
   53    33    38    39   0.23400  1.0 3.0
   53    33   -38    40   0.62750  1.0 1.0
   53    33   -38    40  -0.30950 -1.0 2.0
   53    33   -38    40   0.27300  1.0 3.0
   53    33    38    42   3.69350  1.0 1.0
   53    33    38    42  -1.82950 -1.0 2.0
   53    48    54    55   0.23400  1.0 3.0
   53    48    54    56   0.23400  1.0 3.0
   53    48    54    57   3.69350  1.0 1.0
   53    48    54    57  -1.82950 -1.0 2.0
   54    48    53    33   0.06250  1.0 1.0
   54    48    53    33  -0.01100 -1.0 2.0
   54    48    53    33   0.28050  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   56    54    57    58   0.19450  1.0 3.0
   50    44    48    49   0.15000  1.0 3.0
   50    44    48    53   3.18800  1.0 1.0
   50    44    48    53  -1.12350 -1.0 2.0
   50    44    48    54   1.53400  1.0 1.0
   50    44    48    54  -0.09950 -1.0 2.0
   50    44    48    54   0.05700  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   0.86500  1.0 1.0
   46    40    44    48  -0.17500 -1.0 2.0
   46    40    44    48   0.20800  1.0 3.0
   46    40    44    50   5.28650  1.0 1.0
   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   3.75450  1.0 1.0
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
