* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     92    137     268
    1     0 S   NP   _N1_     1    28.75279    95.01657   -24.09951
    2     1 S   H    _HN1     2     1.02829    30.17508   178.82314
    3     1 S   H    _H1_     3     1.02786   109.72793   -89.32992
    4     1 S   H    _H2_     4     1.02949    78.24565    16.16960
    5     1 S   CT   _CA1     5     1.50107   131.03585   123.10200
    6     5 S   HC   _HA1     6     1.09573   105.19794    85.60930
    7     5 S   CO3  _C1_     7     1.53789   112.46364   -34.63117
    8     7 S   O2Z  _O11     8     1.26371   115.00939   -42.66090
    9     7 S   O2Z  _O12     9     1.26240   114.94516   136.48677
   10     5 S   CT   _CB1    10     1.53081   107.42699  -156.40596
   11    10 S   HC   HB11    11     1.09832   109.37919   -49.74362
   12    10 S   HC   HB12    12     1.09812   110.44787    66.86948
   13    10 S   CT   _CG1    13     1.52985   112.59430  -170.72176
   14    13 S   HC   HG11    14     1.09585   110.62639   -65.49376
   15    13 S   HC   HG12    15     1.09670   109.79261    53.73315
   16    13 S   C    _CD1    16     1.51797   112.24639   174.19215
   17    16 S   O    _OE1    17     1.22727   123.30333     6.57008
   18    16 S   N    _N2_    18     1.38629   111.64218  -173.54554
   19    18 S   H    _HN2    19     1.01587   118.95657     1.65777
   20    18 S   CT1  _CA2    20     1.46237   123.45820   177.75389
   21    20 S   HC   _HA2    21     1.09735   109.36079     2.40110
   22    20 S   C    _C2_    22     1.53551   108.70308  -113.06081
   23    22 S   O    _O2_    23     1.23052   122.29875  -149.12262
   24    20 S   CT   _CB2    32     1.53236   111.37819   124.39557
   25    24 S   HC   HB21    33     1.09651   110.00461    55.79277
   26    24 S   HC   HB22    34     1.09561   110.53720   174.50246
   27    22 S   N    _N3_    24     1.38340   113.72077    38.43624
   28    27 S   H    _HN3    25     1.01581   119.56719    -3.45241
   29    24 S   S    _SG2    35     1.82693   111.38863   -65.54355
   30    27 S   CT   _CA3    26     1.45284   123.22816   177.07149
   31    30 S   HC   HA31    27     1.09548   107.51979   -64.40416
   32    30 S   HC   HA32    28     1.09556   107.97876    52.03866
   33    29 S   CM   _C6_    36     1.74339    99.18085   172.67772
   34    30 S   CO3  _C3_    29     1.52961   114.06604   174.02949
   35    34 S   O2Z  _O31    30     1.26377   116.06189    -0.59545
   36    34 S   O2Z  _O32    31     1.26425   114.41661   179.46405
   37    33 S   CM   _C7_    37     1.45574   116.08870    94.36017
   38    37 S   HC   _H8_    38     1.08672   118.14213    13.74327
   39    37 S   CM   _C8_    39     1.34290   121.74467  -165.94185
   40    39 S   Cl   Cl1_    40     1.73381   120.07377  -178.51879
   41    39 S   CT   _C9_    41     1.51517   123.01659    -1.73280
   42    41 S   OM   _O34    42     1.32775   106.86872    94.61341
   43    41 S   HC   _H3_    43     1.10089   107.30259  -136.49776
   44    41 S   CT   _C10    44     1.57033   109.39174   -23.87516
   45    44 S   HC   _H4_    45     1.09947   107.91473   -82.40666
   46    33 S   CM   _C5_    46     1.35419   123.37161   -88.67372
   47    44 S   OH   _O33    51     1.43205   110.48611   162.77119
   48    47 S   HO   _H9_    52     0.97455   105.75541   -36.09107
   49    46 S   CT   _C4_    47     1.50893   125.57273    -1.82606
   50    49 S   HC   _H5_    48     1.09494   110.18553   112.90107
   51    49 S   HC   _H6_    49     1.09248   114.00191    -7.85750
   52    49 S   HC   _H7_    50     1.09550   109.95458  -127.51453
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
  13   2   1   1   9   4   8   4   8   5   4   8   4   6   2   1
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    46    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    44    45    46    49    50    51    52    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    46    49  
   39    40    41    46  
   40    41    42    43    44    45    46    47  
   41    42    43    44  
   42    43    44    45    46    49    47    48  
   43    44    45    46    47  
   44    45    46    47  
   45    46    49    50    51    52    47    48  
   46    49    47    48  
   49    50    51    52    47    48  
   48    49  
    0  
   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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1200   0.1700  -0.683000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   240.000  1.763
   33    37   380.000  1.444
   33    46   549.000  1.340
   37    38   340.000  1.080
   37    39   549.000  1.340
   39    40   300.000  1.725
   39    41   317.000  1.510
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    47   320.000  1.410
   46    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    46    65.00000  122.11800
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    46    44    70.00000  124.00000
   33    46    49    70.00000  124.00000
   37    39    40    75.00000  121.50000
   37    39    41    70.00000  124.00000
   39    37    38    35.00000  120.00000
   39    41    42    85.00000  110.90400
   39    41    43    35.00000  109.50000
   39    41    44    70.00000  112.02700
   41    39    40    75.00000  111.02000
   41    44    45    37.50000  110.70000
   41    44    46    70.00000  112.02700
   41    44    47    50.00000  109.50000
   43    41    42    45.00000  125.66300
   44    41    42    50.00000  109.50000
   44    41    43    37.50000  110.70000
   44    46    49    65.00000  117.92700
   44    47    48    55.00000  108.50000
   46    33    37    70.00000  123.01800
   46    44    45    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    90.00000  110.39200
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   0.00000  1.0 1.0
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   1.00000 -1.0 2.0
   24    29    33    46   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    39  -0.18600  1.0 3.0
   29    33    46    44   7.00000 -1.0 2.0
   29    33    46    49   7.00000 -1.0 2.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    41   7.00000 -1.0 2.0
   33    46    49    50   0.00000  1.0 1.0
   33    46    49    51   0.00000  1.0 1.0
   33    46    49    52   0.00000  1.0 1.0
   37    33    46    44   7.00000 -1.0 2.0
   37    33    46    49   7.00000 -1.0 2.0
   37    39    41    42   0.39000  1.0 1.0
   37    39    41    42  -0.05800 -1.0 2.0
   37    39    41    42  -0.55150  1.0 3.0
   37    39    41    43   0.00000  1.0 1.0
   37    39   -41    44   0.09850  1.0 1.0
   37    39   -41    44   0.15250 -1.0 2.0
   37    39   -41    44  -0.50650  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    41   7.00000 -1.0 2.0
   39    41    44    45   0.15000  1.0 3.0
   39    41    44    46   0.31000  1.0 1.0
   39    41    44    46   0.14700 -1.0 2.0
   39    41    44    46   0.07550  1.0 3.0
   39    41    44    47   1.05650  1.0 1.0
   39    41    44    47   0.15600 -1.0 2.0
   39    41    44    47   0.53150  1.0 3.0
   40    39    41    42   0.09700  1.0 1.0
   40    39    41    42   0.15600 -1.0 2.0
   40    39    41    42  -0.50800  1.0 3.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    44   0.09700  1.0 1.0
   40    39    41    44   0.15600 -1.0 2.0
   40    39    41    44  -0.50800  1.0 3.0
   41    44   -46    33   0.09850  1.0 1.0
   41    44   -46    33   0.15250 -1.0 2.0
   41    44   -46    33  -0.50650  1.0 3.0
   41    44    46    49   0.46850  1.0 1.0
   41    44    46    49   0.08550 -1.0 2.0
   41    44    46    49   0.09800  1.0 3.0
   41    44    47    48  -0.11600  1.0 1.0
   41    44    47    48  -0.09450 -1.0 2.0
   41    44    47    48   0.21250  1.0 3.0
   42    41    44    45   0.23400  1.0 3.0
   42    41    44    46   0.61850  1.0 1.0
   42    41    44    46  -0.22750 -1.0 2.0
   42    41    44    46   0.15300  1.0 3.0
   42    41    44    47   3.69350  1.0 1.0
   42    41    44    47  -1.82950 -1.0 2.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.23400  1.0 3.0
   44    46    49    50   0.34800  1.0 3.0
   44    46    49    51   0.34800  1.0 3.0
   44    46    49    52   0.34800  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    49   0.34800  1.0 3.0
   45    44    47    48   0.19450  1.0 3.0
   46    33    37    38  -0.18600  1.0 3.0
   46    33   -37    39   0.28850  1.0 1.0
   46    33   -37    39   2.61350 -1.0 2.0
   46    33   -37    39   0.78400  1.0 3.0
   46    44    47    48  -0.07800  1.0 1.0
   46    44    47    48  -0.21500 -1.0 2.0
   46    44    47    48  -0.03150  1.0 3.0
   47    44    46    33   0.67800  1.0 1.0
   47    44    46    33   0.47050 -1.0 2.0
   47    44    46    33  -0.62500  1.0 3.0
   47    44    46    49   0.18000  1.0 1.0
   47    44    46    49   0.16450 -1.0 2.0
   47    44    46    49   0.04450  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
   35    30    34    36  10.50000 -1.0 2.0
   29    37    33    46   1.10000 -1.0 2.0
   33    38    37    39   1.10000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   44    49    46    33   1.10000 -1.0 2.0
END
