* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    141     272
    1     0 S   NP   _N1_     1    28.14782    96.45896   -21.98937
    2     1 S   H    _HN1     2     1.02836    35.70232   132.46254
    3     1 S   H    _H1_     3     1.02777    99.38949  -119.88347
    4     1 S   H    _H2_     4     1.02956    77.50085   -13.03748
    5     1 S   CT   _CA1     5     1.50150   141.73994    94.14001
    6     5 S   HC   _HA1     6     1.09576   105.19276    82.01357
    7     5 S   CO3  _C1_     7     1.53767   112.24517   -38.13253
    8     7 S   O2Z  _O11     8     1.26369   114.99438   -45.95122
    9     7 S   O2Z  _O12     9     1.26220   114.91150   132.92661
   10     5 S   CT   _CB1    10     1.53071   107.39229  -160.14587
   11    10 S   HC   HB11    11     1.09833   109.29120   -50.35631
   12    10 S   HC   HB12    12     1.09813   110.46084    66.17321
   13    10 S   CT   _CG1    13     1.53043   112.71325  -171.38858
   14    13 S   HC   HG11    14     1.09594   110.55750   -65.22907
   15    13 S   HC   HG12    15     1.09658   109.88796    54.00800
   16    13 S   C    _CD1    16     1.51857   112.14577   174.34972
   17    16 S   O    _OE1    17     1.22777   123.23670     3.34562
   18    16 S   N    _N2_    18     1.38520   111.84814  -176.61899
   19    18 S   H    _HN2    19     1.01580   119.22547     2.98865
   20    18 S   CT1  _CA2    20     1.45886   122.76997   178.24632
   21    20 S   HC   _HA2    21     1.09724   108.79316    28.06570
   22    20 S   C    _C2_    22     1.52936   106.90615   -89.17534
   23    22 S   O    _O2_    23     1.23006   123.01102   -28.77887
   24    20 S   CT   _CB2    32     1.53203   112.28521   151.30049
   25    24 S   HC   HB21    33     1.09357   109.70283    56.43851
   26    24 S   HC   HB22    34     1.09528   110.15507   175.07566
   27    22 S   N    _N3_    24     1.38505   112.68888   153.92150
   28    27 S   H    _HN3    25     1.01668   120.36791    -2.19303
   29    24 S   S    _SG2    35     1.82336   111.04607   -64.83338
   30    27 S   CT   _CA3    26     1.45356   122.32127   178.63599
   31    30 S   HC   HA31    27     1.09579   107.61494   -58.23035
   32    30 S   HC   HA32    28     1.09568   107.75802    58.02909
   33    29 S   CT   _C8_    36     1.84630   100.09873   179.19936
   34    33 S   HC   _H4_    37     1.09607   106.19272    33.08715
   35    30 S   CO3  _C3_    29     1.52855   114.45762   179.75292
   36    35 S   O2Z  _O31    30     1.26308   116.09979    -6.72007
   37    35 S   O2Z  _O32    31     1.26443   114.39974   173.36809
   38    33 S   CM   _C9_    38     1.50372   107.54971   150.43443
   39    38 S   CM   _C4_    39     1.44378   119.58691    89.64893
   40    39 S   HC   _H5_    40     1.08649   116.85424  -168.28084
   41    38 S   CMA  _C10    50     1.51083   121.75816   -93.77047
   42    41 S   OM   _O33    51     1.26338   120.99706   113.63147
   43    41 S   OM   _O34    52     1.26333   120.35586   -65.90750
   44    39 S   CM   _C5_    41     1.34504   122.50119    10.56062
   45    44 S   Cl   Cl2_    42     1.74768   117.65366  -175.80539
   46    44 S   CT   _C6_    43     1.52547   123.67745     3.21443
   47    46 S   OM   _O36    44     1.32188   110.43427   131.24574
   48    46 S   Cl   Cl1_    45     1.79781   108.83185  -111.97231
   49    33 S   CT   _C7_    46     1.55034   115.63945   -87.15533
   50    49 S   HC   _H3_    47     1.10367   105.31808   170.85724
   51    49 S   OH   _O35    48     1.43179   110.97323    57.97308
   52    51 S   HO   _H6_    49     0.97186   107.01937    60.74189
  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   9   5   4   3
  15   7   2   1   1  11  10   4   4   1   1   7   4   6   4   3
   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    50    51    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    50    51    52    41    42    43  
   38    39    46    49    50    51    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    50    51    41    42    43  
   40    44    45    46    47    48    49    41    42    43  
   44    45    46    41  
   42    43    44    49  
   43  
    0  
   45    46    47    48    49    50    51  
   46    47    48    49  
   47    48    49    50    51    52  
   48    49    50    51  
   49    50    51  
   50    51    52  
   51    52  
   52  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   46   4.2000   0.3000   0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   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   317.000  1.510
   33    49   268.000  1.529
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   300.000  1.725
   44    46   317.000  1.510
   46    47   570.000  1.307
   46    48   245.000  1.781
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   320.000  1.410
   51    52   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  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  112.20000
   29    33    49    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    49    46    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    75.00000  121.50000
   39    44    46    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    46    47    85.00000  110.90400
   44    46    48    75.00000  111.90500
   44    46    49    70.00000  112.02700
   46    44    45    75.00000  111.02000
   46    49    50    37.50000  110.70000
   46    49    51    50.00000  109.50000
   48    46    47    95.00000  108.90000
   49    33    34    37.50000  110.70000
   49    33    38    70.00000  112.02700
   49    46    47    50.00000  109.50000
   49    46    48    69.00000  109.80000
   49    51    52    55.00000  108.50000
   51    49    50    35.00000  109.50000
   41    38    39    70.00000  117.34000
   43    41    42    65.00000  121.00000
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  -0.62250  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    51   0.56750  1.0 1.0
   29    33    49    51  -0.07550 -1.0 2.0
   29    33    49    51   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    44  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    49    51    52  -0.11600  1.0 1.0
   33    49    51    52  -0.09450 -1.0 2.0
   33    49    51    52   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.15000  1.0 3.0
   34    33    49    51   0.23400  1.0 3.0
   38    33    49    46   0.34400  1.0 1.0
   38    33    49    46   0.09450 -1.0 2.0
   38    33    49    46   0.11100  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    51   1.05650  1.0 1.0
   38    33    49    51   0.15600 -1.0 2.0
   38    33    49    51   0.53150  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.39000  1.0 1.0
   39    44    46    47  -0.05800 -1.0 2.0
   39    44    46    47  -0.55150  1.0 3.0
   39    44    46    48   0.09700  1.0 1.0
   39    44    46    48   0.15600 -1.0 2.0
   39    44    46    48  -0.50800  1.0 3.0
   39    44    46    49   0.09850  1.0 1.0
   39    44    46    49   0.15250 -1.0 2.0
   39    44    46    49  -0.50650  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -49    33   0.34400  1.0 1.0
   44    46   -49    33   0.09450 -1.0 2.0
   44    46   -49    33   0.11100  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    51   1.05650  1.0 1.0
   44    46    49    51   0.15600 -1.0 2.0
   44    46    49    51   0.53150  1.0 3.0
   45    44    46    47   0.09700  1.0 1.0
   45    44    46    47   0.15600 -1.0 2.0
   45    44    46    47  -0.50800  1.0 3.0
   45    44    46    48   0.09700  1.0 1.0
   45    44    46    48   0.15600 -1.0 2.0
   45    44    46    48  -0.50800  1.0 3.0
   45    44    46    49   0.09700  1.0 1.0
   45    44    46    49   0.15600 -1.0 2.0
   45    44    46    49  -0.50800  1.0 3.0
   46    49    51    52  -0.11600  1.0 1.0
   46    49    51    52  -0.09450 -1.0 2.0
   46    49    51    52   0.21250  1.0 3.0
   47    46    49    33   0.62750  1.0 1.0
   47    46    49    33  -0.30950 -1.0 2.0
   47    46    49    33   0.27300  1.0 3.0
   47    46    49    50   0.23400  1.0 3.0
   47    46    49    51   3.69350  1.0 1.0
   47    46    49    51  -1.82950 -1.0 2.0
   48    46    49    33   0.35600  1.0 1.0
   48    46    49    33  -0.14650 -1.0 2.0
   48    46    49    33   0.33350  1.0 3.0
   48    46    49    50   0.27000  1.0 3.0
   48    46    49    51   0.56750  1.0 1.0
   48    46    49    51  -0.07550 -1.0 2.0
   48    46    49    51   0.20000  1.0 3.0
   49    33   -38    39   0.98200  1.0 1.0
   49    33   -38    39  -0.11900 -1.0 2.0
   49    33   -38    39   0.24250  1.0 3.0
   49    33    38    41   0.09850  1.0 1.0
   49    33    38    41   0.15250 -1.0 2.0
   49    33    38    41  -0.50650  1.0 3.0
   50    49    51    52   0.19450  1.0 3.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    44   0.28850  1.0 1.0
   41    38    39    44   2.61350 -1.0 2.0
   41    38    39    44   0.78400  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    39    38    41   1.10000 -1.0 2.0
   38    40    39    44   1.10000 -1.0 2.0
   46    45    44    39   1.10000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
