* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     93    144     277
    1     0 S   NP   _N1_     1    28.05281    96.05451   -22.57026
    2     1 S   H    _HN1     2     1.02834    31.76784   141.84537
    3     1 S   H    _H1_     3     1.02775   100.19880  -110.53807
    4     1 S   H    _H2_     4     1.02958    80.94012    -3.37249
    5     1 S   CT   _CA1     5     1.50127   138.80356   107.30803
    6     5 S   HC   _HA1     6     1.09574   105.22185    77.76883
    7     5 S   CO3  _C1_     7     1.53791   112.38578   -42.43600
    8     7 S   O2Z  _O11     8     1.26365   114.99403   -43.40748
    9     7 S   O2Z  _O12     9     1.26237   114.93423   135.73536
   10     5 S   CT   _CB1    10     1.53099   107.42635  -164.30087
   11    10 S   HC   HB11    11     1.09825   109.34832   -50.48381
   12    10 S   HC   HB12    12     1.09816   110.41622    66.08059
   13    10 S   CT   _CG1    13     1.53008   112.65955  -171.56069
   14    13 S   HC   HG11    14     1.09598   110.47554   -64.11025
   15    13 S   HC   HG12    15     1.09656   109.93158    55.08391
   16    13 S   C    _CD1    16     1.51837   112.34876   175.47048
   17    16 S   O    _OE1    17     1.22745   123.28163    -0.34718
   18    16 S   N    _N2_    18     1.38507   111.64510   179.59170
   19    18 S   H    _HN2    19     1.01567   119.05386     4.71929
   20    18 S   CT1  _CA2    20     1.45931   123.08261   178.21732
   21    20 S   HC   _HA2    21     1.09722   108.94670    21.98585
   22    20 S   C    _C2_    22     1.52856   106.70812   -95.07748
   23    22 S   O    _O2_    23     1.23006   122.92232   -30.25430
   24    20 S   CT   _CB2    32     1.53148   111.92220   145.05042
   25    24 S   HC   HB21    33     1.09564   109.95027    53.65914
   26    24 S   HC   HB22    34     1.09407   110.19729   172.80707
   27    22 S   N    _N3_    24     1.38495   112.68260   151.90254
   28    27 S   H    _HN3    25     1.01646   120.32336     0.20936
   29    24 S   S    _SG2    35     1.82768   110.52661   -67.45284
   30    27 S   CT   _CA3    26     1.45367   122.45455   178.99458
   31    30 S   HC   HA31    27     1.09559   107.34379   -67.87811
   32    30 S   HC   HA32    28     1.09576   108.09591    48.45375
   33    29 S   CT   _C8_    36     1.85088   100.06513   157.81069
   34    33 S   HC   _H3_    37     1.09608   107.38607   -45.61552
   35    30 S   CO3  _C3_    29     1.52899   114.46544   170.68335
   36    35 S   O2Z  _O31    30     1.26322   116.16592     2.04392
   37    35 S   O2Z  _O32    31     1.26479   114.38276  -177.83427
   38    33 S   CM   _C6_    38     1.51271   108.53006    73.59309
   39    38 S   CM   _C5_    39     1.44678   119.32268    89.31682
   40    39 S   HC   _H6_    40     1.08561   118.24796  -172.85729
   41    38 S   CMA  _C7_    51     1.51546   121.91373   -99.38354
   42    41 S   OM   _O33    52     1.26334   120.51105   -49.22357
   43    41 S   OM   _O34    53     1.26350   121.14754   130.36550
   44    39 S   CM   _C4_    41     1.34122   122.16311     7.04790
   45    44 S   HC   _H5_    42     1.08612   118.81137  -178.00806
   46    44 S   CT   _C10    43     1.50718   123.00468     2.01965
   47    46 S   HC   _H4_    44     1.09680   107.85789  -104.00775
   48    33 S   CT   _C9_    45     1.55573   112.92721  -164.75776
   49    48 S   Cl   Cl1_    46     1.80007   111.63661    55.92687
   50    46 S   OH   _O35    49     1.42927   109.18416   140.11948
   51    50 S   HO   _H7_    50     0.97198   107.72122    57.18143
   52    48 S   OH   _O36    47     1.43597   108.50386   171.61440
   53    52 S   HO   _H8_    48     0.97182   106.92903   -58.54191
  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   8   4   7   5   5
   3   2   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    48    49    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    52    53    50    41    42    43  
   38    39    46    48    49    52    41  
   36    37  
   37  
    0  
   39    40    44    45    46    48    49    52    41    42    43  
   40    44    45    46    47    48    50    41    42    43  
   44    45    46    41  
   42    43    44    48  
   43  
    0  
   45    46    47    48    49    52    50    51  
   46    47    48    50  
   47    48    49    52    53    50    51  
   48    49    52    50    51  
   49    52    53    50    51  
   52    53    50  
   51    52  
    0  
   53  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.465000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   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    48   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   340.000  1.080
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   320.000  1.410
   48    49   245.000  1.781
   48    52   320.000  1.410
   52    53   553.000  0.945
   50    51   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    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    48    46    58.35000  112.70000
   33    48    49    69.00000  109.80000
   33    48    52    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    35.00000  120.00000
   39    44    46    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    48    70.00000  112.02700
   44    46    50    90.00000  110.39200
   46    44    45    35.00000  117.00000
   46    48    49    69.00000  109.80000
   46    48    52    50.00000  109.50000
   46    50    51    55.00000  108.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    52    53    55.00000  108.50000
   52    48    49    95.00000  108.90000
   50    46    47    35.00000  109.50000
   50    46    48    50.00000  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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.56750  1.0 1.0
   29    33    48    49  -0.07550 -1.0 2.0
   29    33    48    49   0.20000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   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    48    52    53  -0.11600  1.0 1.0
   33    48    52    53  -0.09450 -1.0 2.0
   33    48    52    53   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    48    46   0.15000  1.0 3.0
   34    33    48    49   0.27000  1.0 3.0
   34    33    48    52   0.23400  1.0 3.0
   38    33    48    46   0.34400  1.0 1.0
   38    33    48    46   0.09450 -1.0 2.0
   38    33    48    46   0.11100  1.0 3.0
   38    33    48    49   0.56750  1.0 1.0
   38    33    48    49  -0.07550 -1.0 2.0
   38    33    48    49   0.20000  1.0 3.0
   38    33    48    52   1.05650  1.0 1.0
   38    33    48    52   0.15600 -1.0 2.0
   38    33    48    52   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   0.00000  1.0 1.0
   39    44    46    48   0.09850  1.0 1.0
   39    44    46    48   0.15250 -1.0 2.0
   39    44    46    48  -0.50650  1.0 3.0
   39    44    46    50   0.67800  1.0 1.0
   39    44    46    50   0.47050 -1.0 2.0
   39    44    46    50  -0.62500  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   -48    33   0.34400  1.0 1.0
   44    46   -48    33   0.09450 -1.0 2.0
   44    46   -48    33   0.11100  1.0 3.0
   44    46    48    49   0.56750  1.0 1.0
   44    46    48    49  -0.07550 -1.0 2.0
   44    46    48    49   0.20000  1.0 3.0
   44    46    48    52   1.05650  1.0 1.0
   44    46    48    52   0.15600 -1.0 2.0
   44    46    48    52   0.53150  1.0 3.0
   44    46    50    51  -0.07800  1.0 1.0
   44    46    50    51  -0.21500 -1.0 2.0
   44    46    50    51  -0.03150  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    48    52    53  -0.11600  1.0 1.0
   46    48    52    53  -0.09450 -1.0 2.0
   46    48    52    53   0.21250  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.27000  1.0 3.0
   47    46    48    52   0.23400  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    41   0.09850  1.0 1.0
   48    33    38    41   0.15250 -1.0 2.0
   48    33    38    41  -0.50650  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
   49    48    52    53   0.35600  1.0 1.0
   49    48    52    53  -0.10750 -1.0 2.0
   49    48    52    53  -0.54400  1.0 3.0
   50    46    48    33   0.86500  1.0 1.0
   50    46    48    33  -0.17500 -1.0 2.0
   50    46    48    33   0.20800  1.0 3.0
   50    46    48    49   0.56750  1.0 1.0
   50    46    48    49  -0.07550 -1.0 2.0
   50    46    48    49   0.20000  1.0 3.0
   50    46    48    52   3.75450  1.0 1.0
   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
