* LIGAND DATABASE FILE (OPLS2005)
*
001      51    51     90    132     259
    1     0 S   NP   _N1_     1    28.79732    94.29005   -21.90938
    2     1 S   H    _HN1     2     1.02962    87.93139    28.16505
    3     1 S   H    _H1_     3     1.02838    27.81814   162.28182
    4     1 S   H    _H2_     4     1.02777    95.96466   -80.06608
    5     1 S   CT   _CA1     5     1.50125   137.86395   146.82012
    6     5 S   HC   _HA1     6     1.09575   105.22042    66.75656
    7     5 S   CO3  _C1_     7     1.53774   112.42882   -53.43657
    8     7 S   O2Z  _O11     8     1.26355   114.99519   -42.62244
    9     7 S   O2Z  _O12     9     1.26238   114.92283   136.54759
   10     5 S   CT   _CB1    10     1.53093   107.43759  -175.32035
   11    10 S   HC   HB11    11     1.09825   109.29795   -50.71108
   12    10 S   HC   HB12    12     1.09823   110.42367    65.82827
   13    10 S   CT   _CG1    13     1.53024   112.70548  -171.82091
   14    13 S   HC   HG11    14     1.09592   110.44593   -64.49563
   15    13 S   HC   HG12    15     1.09653   109.99038    54.75558
   16    13 S   C    _CD1    16     1.51799   112.29483   175.08299
   17    16 S   O    _OE1    17     1.22739   123.23863    -1.36645
   18    16 S   N    _N2_    18     1.38669   111.68413   178.75746
   19    18 S   H    _HN2    19     1.01593   119.09270     0.16786
   20    18 S   CT1  _CA2    20     1.46103   123.22793   179.94065
   21    20 S   HC   _HA2    21     1.09575   109.10649   -13.18314
   22    20 S   C    _C2_    22     1.53449   108.67710  -128.25725
   23    22 S   O    _O2_    23     1.23021   122.13844  -148.05689
   24    20 S   CT   _CB2    32     1.53433   111.85337   109.26823
   25    24 S   HC   HB21    33     1.09654   109.56541    61.01862
   26    24 S   HC   HB22    34     1.09569   110.98683   178.40848
   27    22 S   N    _N3_    24     1.38482   113.42332    39.54080
   28    27 S   H    _HN3    25     1.01523   118.90382    -0.91236
   29    24 S   S    _SG2    35     1.82750   114.52096   -58.74394
   30    27 S   CT   _CA3    26     1.45450   123.52176   174.60686
   31    30 S   HC   HA31    27     1.09517   109.30865    23.04555
   32    30 S   HC   HA32    28     1.09494   107.11327   140.10986
   33    29 S   CT   _C9_    36     1.81808    99.77388   -70.10652
   34    33 S   HC   _H7_    37     1.09514   108.46232   -61.20623
   35    33 S   HC   _H8_    38     1.09326   110.57865    56.95797
   36    30 S   CO3  _C3_    29     1.52936   113.04214  -100.44400
   37    36 S   O2Z  _O31    30     1.26408   115.40336   -43.57321
   38    36 S   O2Z  _O32    31     1.26350   114.97601   137.30685
   39    33 S   CM   _C5_    39     1.48791   110.19802   177.58135
   40    39 S   CM   _C6_    40     1.33364   127.58744   110.18812
   41    40 S   HC   _H5_    41     1.08009   125.41509    -1.49776
   42    40 S   CO   _C7_    42     1.48445   109.97932   177.29202
   43    42 S   OS   _O33    43     1.44206   105.97047     1.57930
   44    42 S   CO3  _C8_    47     1.53997   111.80826   119.62322
   45    44 S   O2Z  _O35    48     1.26526   116.15424   -53.00858
   46    44 S   O2Z  _O34    49     1.26705   115.12432   127.64384
   47    42 S   OH   _O36    50     1.42662   108.65598  -117.88624
   48    47 S   HO   _H6_    51     0.97401   106.66622  -146.69602
   49    39 S   CT   _C4_    44     1.48797   122.85187   -73.28990
   50    49 S   HC   _H3_    45     1.09416   111.85283   -61.14216
   51    49 S   HC   _H4_    46     1.09357   112.56936    62.57156
  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   6   5   4   3
  10   4   3   2   1   1   9  11   5   9   8   5   2   1   2   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    49    50    51  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    49    50    51    44    47  
   41    42    43    49    50    51    44    45    46    47    48  
   42    43    49    44    47  
   43    49    50    51    44    45    46    47    48  
   49    50    51    44    45    46    47    48  
   45    46    47    48    49  
   46    47  
   47  
   48    49  
    0  
   50    51  
   51  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    49   317.000  1.510
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   320.000  1.380
   42    44   205.000  1.564
   42    47   380.000  1.407
   43    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   44    45   656.000  1.250
   44    46   656.000  1.250
   47    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    49    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    70.00000  124.00000
   39    49    43    85.00000  110.90400
   39    49    50    35.00000  109.50000
   39    49    51    35.00000  109.50000
   40    42    43    85.00000  110.90400
   40    42    44    65.00000  111.94000
   40    42    47    90.00000  110.39200
   42    40    41    35.00000  117.00000
   42    43    49    60.00000  109.50000
   42    44    45    85.00000  113.77000
   42    44    46    85.00000  113.77000
   42    47    48    70.00000  107.92000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   49    39    40    70.00000  124.00000
   51    49    50    33.00000  107.80000
   44    42    43    90.00000  109.02000
   46    44    45    80.00000  126.00000
   47    42    43   110.00000  112.08000
   47    42    44    90.00000  109.02000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    49    43   0.09700  1.0 1.0
   33    39    49    43   0.15600 -1.0 2.0
   33    39    49    43  -0.50800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   33    39    49    51   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.34800  1.0 3.0
   39    40   -42    43   0.39000  1.0 1.0
   39    40   -42    43  -0.05800 -1.0 2.0
   39    40   -42    43  -0.55150  1.0 3.0
   39    40    42    44  -0.51250  1.0 1.0
   39    40    42    44  -0.88800 -1.0 2.0
   39    40    42    44   0.08850  1.0 3.0
   39    40    42    47   0.67800  1.0 1.0
   39    40    42    47   0.47050 -1.0 2.0
   39    40    42    47  -0.62500  1.0 3.0
   40    39   -49    43   0.39000  1.0 1.0
   40    39   -49    43  -0.05800 -1.0 2.0
   40    39   -49    43  -0.55150  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   40    39    49    51   0.00000  1.0 1.0
   40    42   -43    49  -0.77900  1.0 1.0
   40    42   -43    49  -0.36900 -1.0 2.0
   40    42   -43    49   0.40400  1.0 3.0
   40    42    44    45   0.30150 -1.0 2.0
   40    42    44    46   0.30150 -1.0 2.0
   40    42    47    48  -0.07800  1.0 1.0
   40    42    47    48  -0.21500 -1.0 2.0
   40    42    47    48  -0.03150  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    47   0.00000  1.0 1.0
   42    43   -49    39  -0.77900  1.0 1.0
   42    43   -49    39  -0.36900 -1.0 2.0
   42    43   -49    39   0.40400  1.0 3.0
   42    43    49    50   0.37050  1.0 3.0
   42    43    49    51   0.37050  1.0 3.0
   43    42    44    45   0.30150 -1.0 2.0
   43    42    44    46   0.30150 -1.0 2.0
   43    42    47    48  -0.50000  1.0 1.0
   43    42    47    48  -0.73950 -1.0 2.0
   43    42    47    48   0.17150  1.0 3.0
   49    39    40    41   7.00000 -1.0 2.0
   49    39   -40    42   7.00000 -1.0 2.0
   44    42    43    49  -1.11000  1.0 1.0
   44    42    43    49   0.50250 -1.0 2.0
   44    42    43    49   0.47450  1.0 3.0
   44    42    47    48   0.91850  1.0 1.0
   44    42    47    48   0.57950  1.0 3.0
   47    42    43    49  -0.70900  1.0 1.0
   47    42    43    49  -1.18000 -1.0 2.0
   47    42    43    49   0.91650  1.0 3.0
   47    42    44    45   0.30150 -1.0 2.0
   47    42    44    46   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    49    39    40   1.10000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   45    42    44    46  10.50000 -1.0 2.0
END
