* LIGAND DATABASE FILE (OPLS2005)
*
001      50    50     91    137     267
    1     0 S   NP   _N1_     1    28.75074    95.23753   -23.60448
    2     1 S   H    _HN1     2     1.02784   106.63690   -88.86404
    3     1 S   H    _H1_     3     1.02950    78.46638    17.07214
    4     1 S   H    _H2_     4     1.02828    31.05984   173.93612
    5     1 S   CT   _CA1     5     1.50108   133.98170   124.37991
    6     5 S   HC   _HA1     6     1.09572   105.20970    84.04937
    7     5 S   CO3  _C1_     7     1.53797   112.46358   -36.20746
    8     7 S   O2Z  _O11     8     1.26371   115.00929   -42.49023
    9     7 S   O2Z  _O12     9     1.26241   114.95085   136.69783
   10     5 S   CT   _CB1    10     1.53086   107.42714  -157.95148
   11    10 S   HC   HB11    11     1.09830   109.40074   -49.74816
   12    10 S   HC   HB12    12     1.09814   110.42954    66.86683
   13    10 S   CT   _CG1    13     1.52982   112.59421  -170.73774
   14    13 S   HC   HG11    14     1.09585   110.59674   -64.87708
   15    13 S   HC   HG12    15     1.09668   109.82156    54.34880
   16    13 S   C    _CD1    16     1.51795   112.28636   174.81061
   17    16 S   O    _OE1    17     1.22722   123.31394     5.04978
   18    16 S   N    _N2_    18     1.38655   111.62567  -175.05375
   19    18 S   H    _HN2    19     1.01581   118.91318     2.00555
   20    18 S   CT1  _CA2    20     1.46184   123.39908   177.98326
   21    20 S   HC   _HA2    21     1.09734   109.40424     1.27641
   22    20 S   C    _C2_    22     1.53514   108.51601  -114.24174
   23    22 S   O    _O2_    23     1.23053   122.29058  -147.18022
   24    20 S   CT   _CB2    32     1.53345   111.56810   123.32444
   25    24 S   HC   HB21    33     1.09583   110.07522    56.13237
   26    24 S   HC   HB22    34     1.09438   109.95073   175.20466
   27    22 S   N    _N3_    24     1.38332   113.66187    40.20555
   28    27 S   H    _HN3    25     1.01596   119.58993    -3.29182
   29    24 S   S    _SG2    35     1.82750   111.52648   -64.87973
   30    27 S   CT   _CA3    26     1.45290   123.18505   177.12465
   31    30 S   HC   HA31    27     1.09549   107.50584   -64.55671
   32    30 S   HC   HA32    28     1.09557   107.98354    51.87342
   33    29 S   CT   _C8_    36     1.84353    99.90823   171.00684
   34    33 S   HC   _H3_    37     1.09979   103.81162   -54.85705
   35    30 S   CO3  _C3_    29     1.52954   114.09810   173.87209
   36    35 S   O2Z  _O31    30     1.26373   116.06624    -0.77833
   37    35 S   O2Z  _O32    31     1.26429   114.41156   179.28372
   38    33 S   CT   _C7_    38     1.55626   115.76936    61.31250
   39    38 S   Cl   CL10    39     1.79755   113.70644    46.47779
   40    38 S   HC   _H14    40     1.09634   108.13520   -70.44783
   41    38 S   CM   _C5_    41     1.51065   111.92071   170.01800
   42    41 S   Cl   _CL8    42     1.73496   116.24491   165.48442
   43    41 S   CM   _C4_    43     1.34249   124.29324   -10.33828
   44    43 S   HC   _H12    44     1.08799   119.63460   176.55616
   45    43 S   CT   _C6_    45     1.50219   122.77275    -0.24066
   46    45 S   Cl   _CL9    46     1.78757   110.52025  -147.08302
   47    45 S   HC   _H13    47     1.09704   106.44526   100.07529
   48    33 S   CT   _C9_    48     1.55241   111.23316  -167.53984
   49    48 S   Cl   CL11    49     1.79886   112.40512   -65.38165
   50    48 S   HC   _H16    50     1.09697   109.82960    51.63063
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  13   8   2   1   1  10   5   4   7   3   7   4   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    48    49    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    49    50  
   38    39    40    41    45    48    49    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45    46    47    48    49    50  
   45    46    47    48  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50  
   49    50  
   50  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   40   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   47   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   50   2.5000   0.0300   0.103000   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    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    48   268.000  1.529
   38    39   245.000  1.781
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   300.000  1.725
   41    43   549.000  1.340
   43    44   340.000  1.080
   43    45   317.000  1.510
   45    46   245.000  1.781
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   245.000  1.781
   48    50   340.000  1.090
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    48    75.00000  111.63000
   33    38    39    69.00000  109.80000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    45    58.35000  112.70000
   33    48    49    69.00000  109.80000
   33    48    50    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    75.00000  111.02000
   38    41    43    70.00000  124.00000
   40    38    39    51.00000  107.60000
   41    38    39    75.00000  111.90500
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  120.00000
   41    43    45    70.00000  124.00000
   43    41    42    75.00000  121.50000
   43    45    46    75.00000  111.90500
   43    45    47    35.00000  109.50000
   43    45    48    70.00000  112.02700
   45    43    44    35.00000  117.00000
   45    48    49    69.00000  109.80000
   45    48    50    37.50000  110.70000
   47    45    46    51.00000  107.60000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    45    46    69.00000  109.80000
   48    45    47    37.50000  110.70000
   50    48    49    51.00000  107.60000
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    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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    45   0.44750  1.0 1.0
   29    33    48    45  -0.17800 -1.0 2.0
   29    33    48    45   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    50   0.15000  1.0 3.0
   33    38    41    42   0.09700  1.0 1.0
   33    38    41    42   0.15600 -1.0 2.0
   33    38    41    42  -0.50800  1.0 3.0
   33    38    41    43   0.09850  1.0 1.0
   33    38    41    43   0.15250 -1.0 2.0
   33    38    41    43  -0.50650  1.0 3.0
   34    33    38    39   0.27000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    45   0.15000  1.0 3.0
   34    33    48    49   0.27000  1.0 3.0
   34    33    48    50   0.15000  1.0 3.0
   38    33    48    45   0.56750  1.0 1.0
   38    33    48    45  -0.07550 -1.0 2.0
   38    33    48    45   0.20000  1.0 3.0
   38    33    48    49   0.35600  1.0 1.0
   38    33    48    49  -0.14650 -1.0 2.0
   38    33    48    49   0.33350  1.0 3.0
   38    33    48    50   0.15000  1.0 3.0
   38    41    43    44   7.00000 -1.0 2.0
   38    41   -43    45   7.00000 -1.0 2.0
   39    38    41    42   0.09700  1.0 1.0
   39    38    41    42   0.15600 -1.0 2.0
   39    38    41    42  -0.50800  1.0 3.0
   39    38    41    43   0.09700  1.0 1.0
   39    38    41    43   0.15600 -1.0 2.0
   39    38    41    43  -0.50800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   0.09700  1.0 1.0
   41    43    45    46   0.15600 -1.0 2.0
   41    43    45    46  -0.50800  1.0 3.0
   41    43    45    47   0.00000  1.0 1.0
   41    43    45    48   0.09850  1.0 1.0
   41    43    45    48   0.15250 -1.0 2.0
   41    43    45    48  -0.50650  1.0 3.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    45   7.00000 -1.0 2.0
   43    45   -48    33   0.34400  1.0 1.0
   43    45   -48    33   0.09450 -1.0 2.0
   43    45   -48    33   0.11100  1.0 3.0
   43    45    48    49   0.56750  1.0 1.0
   43    45    48    49  -0.07550 -1.0 2.0
   43    45    48    49   0.20000  1.0 3.0
   43    45    48    50   0.15000  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
   44    43    45    47   0.33100  1.0 3.0
   44    43    45    48   0.00000  1.0 1.0
   46    45    48    33   0.35600  1.0 1.0
   46    45    48    33  -0.14650 -1.0 2.0
   46    45    48    33   0.33350  1.0 3.0
   46    45    48    49   0.22500  1.0 1.0
   46    45    48    50   0.27000  1.0 3.0
   47    45    48    33   0.15000  1.0 3.0
   47    45    48    49   0.27000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   48    33    38    39   0.35600  1.0 1.0
   48    33    38    39  -0.14650 -1.0 2.0
   48    33    38    39   0.33350  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
IPHI
    9     5     7     8  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    35    36  10.50000 -1.0 2.0
   38    42    41    43   1.10000 -1.0 2.0
   45    44    43    41   1.10000 -1.0 2.0
END
