* LIGAND DATABASE FILE (OPLS2005)
*
001      49    49     86    131     253
    1     0 S   NP   _N1_     1    28.11485    95.49264   -22.34727
    2     1 S   H    _HN1     2     1.02777    98.53937  -115.31776
    3     1 S   H    _H1_     3     1.02957    83.46576    -7.68051
    4     1 S   H    _H2_     4     1.02836    30.30145   133.66324
    5     1 S   CT   _CA1     5     1.50123   138.72253   105.97700
    6     5 S   HC   _HA1     6     1.09574   105.22062    73.69444
    7     5 S   CO3  _C1_     7     1.53788   112.36335   -46.50588
    8     7 S   O2Z  _O11     8     1.26364   114.99926   -44.05623
    9     7 S   O2Z  _O12     9     1.26236   114.93126   135.06455
   10     5 S   CT   _CB1    10     1.53097   107.42688  -168.39311
   11    10 S   HC   HB11    11     1.09826   109.34183   -50.54698
   12    10 S   HC   HB12    12     1.09816   110.42530    66.01274
   13    10 S   CT   _CG1    13     1.53014   112.66040  -171.61869
   14    13 S   HC   HG11    14     1.09595   110.48627   -64.17647
   15    13 S   HC   HG12    15     1.09656   109.92421    55.02078
   16    13 S   C    _CD1    16     1.51838   112.32700   175.39585
   17    16 S   O    _OE1    17     1.22747   123.29787    -0.00000
   18    16 S   N    _N2_    18     1.38562   111.69529   179.97202
   19    18 S   H    _HN2    19     1.01562   119.00194     4.72530
   20    18 S   CT1  _CA2    20     1.45845   122.91205   177.93417
   21    20 S   HC   _HA2    21     1.09722   108.96843    23.21211
   22    20 S   C    _C2_    22     1.52900   106.91810   -93.88272
   23    22 S   O    _O2_    23     1.22987   123.00378   -27.55831
   24    20 S   CT   _CB2    32     1.53114   112.18925   146.38559
   25    24 S   HC   HB21    33     1.09661   110.28625    54.75265
   26    24 S   HC   HB22    34     1.09558   110.25817   173.25884
   27    22 S   N    _N3_    24     1.38487   112.61263   155.19688
   28    27 S   H    _HN3    25     1.01659   120.38655    -2.18839
   29    24 S   S    _SG2    35     1.82467   111.21004   -66.26353
   30    27 S   CT   _CA3    26     1.45356   122.43206   178.58307
   31    30 S   HC   HA31    27     1.09570   107.73619   -56.83837
   32    30 S   HC   HA32    28     1.09563   107.66966    59.47492
   33    29 S   CM   _C5_    36     1.75065    99.23023   177.22040
   34    30 S   CO3  _C3_    29     1.52878   114.36744  -178.76965
   35    34 S   O2Z  _O31    30     1.26326   116.07695    -2.20930
   36    34 S   O2Z  _O32    31     1.26439   114.40324   177.79833
   37    33 S   CM   _C4_    37     1.34808   119.42496   -92.59390
   38    37 S   HC   _H5_    38     1.08700   120.82059    -1.49489
   39    37 S   CM   _C9_    39     1.45055   121.85972   178.21206
   40    39 S   Cl   Cl1_    40     1.73186   116.17361   167.38257
   41    39 S   CM   _C8_    41     1.34547   120.61834   -15.72970
   42    41 S   Cl   Cl2_    42     1.73247   122.83075  -175.91846
   43    41 S   CT   _C7_    43     1.51831   120.60875     1.70869
   44    43 S   HC   _H4_    44     1.09938   105.98774   -93.75405
   45    33 S   CT   _C6_    45     1.53050   118.83824    85.49947
   46    45 S   OM   _O34    46     1.32838   106.83282    88.61245
   47    45 S   HC   _H3_    47     1.10082   107.41187   -40.07335
   48    43 S   OH   _O33    48     1.43130   111.87585   151.63336
   49    48 S   HO   _H6_    49     0.97455   105.85249   -92.02090
  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   8   5   4   3
  11   2   1   1   9   4   7   3   8   4   6   5   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    45    46    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    45    46    47    48  
   35    36  
   36  
    0  
   38    39    40    41    42    43    45    46    47  
   39    40    41    45  
   40    41    42    43    44    45    48  
   41    42    43  
   42    43    44    45    46    47    48    49  
   43    44    45    48  
   44    45    46    47    48    49  
   45    46    47    48    49  
   46    47    48    49  
   47    48  
   48  
   49  
    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   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   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    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   549.000  1.340
   33    45   317.000  1.510
   37    38   340.000  1.080
   37    39   380.000  1.444
   39    40   300.000  1.725
   39    41   549.000  1.340
   41    42   300.000  1.725
   41    43   317.000  1.510
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   320.000  1.410
   45    46   570.000  1.307
   45    47   340.000  1.090
   48    49   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    45    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    45    43    70.00000  112.02700
   33    45    46    85.00000  110.90400
   33    45    47    35.00000  109.50000
   37    39    40    75.00000  121.50000
   37    39    41    70.00000  123.01800
   39    37    38    35.00000  120.00000
   39    41    42    75.00000  121.50000
   39    41    43    70.00000  124.00000
   41    39    40    75.00000  121.50000
   41    43    44    35.00000  109.50000
   41    43    45    70.00000  112.02700
   41    43    48    90.00000  110.39200
   43    41    42    75.00000  111.02000
   43    45    46    50.00000  109.50000
   43    45    47    37.50000  110.70000
   43    48    49    55.00000  108.50000
   45    33    37    70.00000  124.00000
   45    43    44    37.50000  110.70000
   47    45    46    45.00000  125.66300
   48    43    44    35.00000  109.50000
   48    43    45    50.00000  109.50000
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    45   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   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    45    43   0.09700  1.0 1.0
   29    33    45    43   0.15600 -1.0 2.0
   29    33    45    43  -0.50800  1.0 3.0
   29    33    45    46   0.09700  1.0 1.0
   29    33    45    46   0.15600 -1.0 2.0
   29    33    45    46  -0.50800  1.0 3.0
   29    33    45    47   0.00000  1.0 1.0
   33    37    39    40  -0.18600  1.0 3.0
   33    37    39    41   0.28850  1.0 1.0
   33    37    39    41   2.61350 -1.0 2.0
   33    37    39    41   0.78400  1.0 3.0
   37    33    45    43   0.09850  1.0 1.0
   37    33    45    43   0.15250 -1.0 2.0
   37    33    45    43  -0.50650  1.0 3.0
   37    33    45    46   0.39000  1.0 1.0
   37    33    45    46  -0.05800 -1.0 2.0
   37    33    45    46  -0.55150  1.0 3.0
   37    33    45    47   0.00000  1.0 1.0
   37    39    41    42   7.00000 -1.0 2.0
   37    39   -41    43   7.00000 -1.0 2.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    41  -0.18600  1.0 3.0
   39    41    43    44   0.00000  1.0 1.0
   39    41    43    45   0.09850  1.0 1.0
   39    41    43    45   0.15250 -1.0 2.0
   39    41    43    45  -0.50650  1.0 3.0
   39    41    43    48   0.67800  1.0 1.0
   39    41    43    48   0.47050 -1.0 2.0
   39    41    43    48  -0.62500  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    43   7.00000 -1.0 2.0
   41    43   -45    33   0.31000  1.0 1.0
   41    43   -45    33   0.14700 -1.0 2.0
   41    43   -45    33   0.07550  1.0 3.0
   41    43    45    46   0.61850  1.0 1.0
   41    43    45    46  -0.22750 -1.0 2.0
   41    43    45    46   0.15300  1.0 3.0
   41    43    45    47   0.15000  1.0 3.0
   41    43    48    49  -0.07800  1.0 1.0
   41    43    48    49  -0.21500 -1.0 2.0
   41    43    48    49  -0.03150  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.09700  1.0 1.0
   42    41    43    45   0.15600 -1.0 2.0
   42    41    43    45  -0.50800  1.0 3.0
   42    41    43    48   0.09700  1.0 1.0
   42    41    43    48   0.15600 -1.0 2.0
   42    41    43    48  -0.50800  1.0 3.0
   44    43    45    33   0.15000  1.0 3.0
   44    43    45    46   0.23400  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    48    49   0.19450  1.0 3.0
   45    33    37    38   7.00000 -1.0 2.0
   45    33   -37    39   7.00000 -1.0 2.0
   45    43    48    49  -0.11600  1.0 1.0
   45    43    48    49  -0.09450 -1.0 2.0
   45    43    48    49   0.21250  1.0 3.0
   48    43    45    33   1.05650  1.0 1.0
   48    43    45    33   0.15600 -1.0 2.0
   48    43    45    33   0.53150  1.0 3.0
   48    43    45    46   3.69350  1.0 1.0
   48    43    45    46  -1.82950 -1.0 2.0
   48    43    45    47   0.23400  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    45    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   37    40    39    41   1.10000 -1.0 2.0
   43    42    41    39   1.10000 -1.0 2.0
END
