* LIGAND DATABASE FILE (OPLS2005)
*
001      52    52     89    137     262
    1     0 S   NP   _N1_     1    28.77389    95.64639   -23.20018
    2     1 S   H    _HN1     2     1.02949    76.41948     9.57777
    3     1 S   H    _H1_     3     1.02828    34.50378   161.83097
    4     1 S   H    _H2_     4     1.02789   103.66024   -96.37610
    5     1 S   CT   _CA1     5     1.50112   138.10764   115.12448
    6     5 S   HC   _HA1     6     1.09574   105.19171    85.42025
    7     5 S   CO3  _C1_     7     1.53787   112.45461   -34.81725
    8     7 S   O2Z  _O11     8     1.26373   115.00889   -42.88609
    9     7 S   O2Z  _O12     9     1.26239   114.94663   136.22519
   10     5 S   CT   _CB1    10     1.53078   107.41909  -156.60184
   11    10 S   HC   HB11    11     1.09835   109.36864   -49.67112
   12    10 S   HC   HB12    12     1.09812   110.45723    66.93817
   13    10 S   CT   _CG1    13     1.52995   112.60199  -170.63552
   14    13 S   HC   HG11    14     1.09581   110.64884   -65.88706
   15    13 S   HC   HG12    15     1.09672   109.76452    53.34074
   16    13 S   C    _CD1    16     1.51807   112.19240   173.80641
   17    16 S   O    _OE1    17     1.22738   123.26006     7.95705
   18    16 S   N    _N2_    18     1.38637   111.67472  -172.09307
   19    18 S   H    _HN2    19     1.01584   119.01582     1.52380
   20    18 S   CT1  _CA2    20     1.46256   123.47640   177.54553
   21    20 S   HC   _HA2    21     1.09742   109.24075     5.38511
   22    20 S   C    _C2_    22     1.53655   109.10714  -110.08230
   23    22 S   O    _O2_    23     1.23075   122.21971  -151.81862
   24    20 S   CT   _CB2    32     1.53408   111.40500   127.26927
   25    24 S   HC   HB21    33     1.09401   109.53893    55.26329
   26    24 S   HC   HB22    34     1.09479   110.20532   174.69216
   27    22 S   N    _N3_    24     1.38317   113.90736    35.81986
   28    27 S   H    _HN3    25     1.01552   119.57083    -3.60288
   29    24 S   S    _SG2    35     1.82583   111.21073   -65.31680
   30    27 S   CT   _CA3    26     1.45274   123.24240   177.06996
   31    30 S   HC   HA31    27     1.09549   107.54587   -63.94287
   32    30 S   HC   HA32    28     1.09557   107.95472    52.50194
   33    29 S   CT   _C6_    36     1.85645   100.29580  -172.15435
   34    33 S   HC   _H3_    37     1.09606   108.64824    40.47028
   35    30 S   CO3  _C3_    29     1.52960   114.06211   174.48530
   36    35 S   O2Z  _O31    30     1.26381   116.07967    -0.06256
   37    35 S   O2Z  _O32    31     1.26428   114.41405   180.00000
   38    33 S   CM   _C5_    38     1.53676   109.81579   -80.75521
   39    38 S   CM   _C4_    39     1.46750   114.22794   -83.21876
   40    39 S   HC   _H4_    40     1.08541   117.97110   157.14953
   41    38 S   CMA  _C10    48     1.36185   122.68679    99.90934
   42    41 S   OM   _O34    49     1.25960   130.08282    -0.84233
   43    39 S   CM   _C9_    41     1.34664   122.14011   -23.96166
   44    43 S   Br   Br1_    42     1.87471   120.33771  -179.90721
   45    41 S   NE   _N4_    50     1.36926   122.92978   177.70859
   46    45 S   H    _H6_    51     1.00853   122.26643    -2.55558
   47    45 S   H    _H7_    52     1.01180   117.24136  -178.45073
   48    43 S   CM   _C8_    43     1.45627   120.22002    -1.59814
   49    33 S   CM   _C7_    44     1.52063   106.80096   157.80766
   50    49 S   Br   Br2_    45     1.87372   115.75215   -85.88274
   51    48 S   OH   _O33    46     1.37910   116.39257  -165.01338
   52    51 S   HO   _H5_    47     0.97327   107.52314   179.95154
  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   8   5   4   3
  12   6   2   1   1  12   9   4   6   3   6   3   2   1   1   4
   3   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    49    50    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    49    50    51    41    42    45  
   38    39    48    49    50    41  
   36    37  
   37  
    0  
   39    40    43    44    48    49    50    41    42    45    46    47  
   40    43    44    48    49    51    41    42    45  
   43    44    48    41  
   42    45    46    47    43    49  
   45    46    47  
   44    48    49    50    51    52  
   48    49    51  
   46    47  
   47  
    0  
   49    50    51    52  
   50    51    52  
   51  
   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  -0.335000   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   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   45   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   50   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   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    49   317.000  1.510
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    43   549.000  1.340
   43    44   165.000  1.979
   43    48   380.000  1.444
   48    49   549.000  1.340
   48    51   510.000  1.338
   49    50   165.000  1.979
   51    52   553.000  0.945
   41    42   745.000  1.250
   41    45   415.000  1.382
   45    46   434.000  1.010
   45    47   434.000  1.010
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    49    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    49    48    70.00000  124.00000
   33    49    50    70.00000  111.14000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    43    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    45    75.00000  114.40000
   39    43    44    65.00000  115.01300
   39    43    48    70.00000  123.01800
   43    39    40    35.00000  120.00000
   43    48    49    70.00000  123.01800
   43    48    51    80.00000  121.38400
   48    43    44    65.00000  115.01300
   48    49    50    65.00000  115.01300
   48    51    52    70.00000  107.45700
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  110.12100
   51    48    49    80.00000  121.38400
   41    38    39    70.00000  117.34000
   41    45    46    50.00000  121.48000
   41    45    47    50.00000  121.48000
   45    41    42   105.00000  113.92000
   47    45    46    35.00000  109.00000
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    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   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    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    49    48   0.42700  1.0 1.0
   29    33    49    48  -0.70350 -1.0 2.0
   29    33    49    48  -0.43150  1.0 3.0
   29    33    49    50   0.09700  1.0 1.0
   29    33    49    50   0.15600 -1.0 2.0
   29    33    49    50  -0.50800  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    43  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    48   0.00000  1.0 1.0
   34    33    49    50   0.00000  1.0 1.0
   38    33    49    48  -0.28300  1.0 1.0
   38    33    49    48   0.26700 -1.0 2.0
   38    33    49    48  -0.63300  1.0 3.0
   38    33    49    50   0.09700  1.0 1.0
   38    33    49    50   0.15600 -1.0 2.0
   38    33    49    50  -0.50800  1.0 3.0
   38    39    43    44   7.00000 -1.0 2.0
   38    39   -43    48   7.00000 -1.0 2.0
   38    41    45    46   1.00000 -1.0 2.0
   38    41    45    47   1.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   39    43    48    49   0.28850  1.0 1.0
   39    43    48    49   2.61350 -1.0 2.0
   39    43    48    49   0.78400  1.0 3.0
   39    43    48    51   0.50950  1.0 1.0
   39    43    48    51   0.56650 -1.0 2.0
   39    43    48    51   0.34050  1.0 3.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    48   7.00000 -1.0 2.0
   43    48   -49    33   7.00000 -1.0 2.0
   43    48    49    50   7.00000 -1.0 2.0
   43    48    51    52  -0.66100  1.0 1.0
   43    48    51    52   1.20850 -1.0 2.0
   43    48    51    52  -0.36000  1.0 3.0
   44    43    48    49  -0.18600  1.0 3.0
   44    43    48    51   1.08500 -1.0 2.0
   49    33   -38    39  -0.28300  1.0 1.0
   49    33   -38    39   0.26700 -1.0 2.0
   49    33   -38    39  -0.63300  1.0 3.0
   49    33    38    41  -0.28300  1.0 1.0
   49    33    38    41   0.26700 -1.0 2.0
   49    33    38    41  -0.63300  1.0 3.0
   49    48    51    52  -0.66100  1.0 1.0
   49    48    51    52   1.20850 -1.0 2.0
   49    48    51    52  -0.36000  1.0 3.0
   51    48    49    33   7.00000 -1.0 2.0
   51    48    49    50   7.00000 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    43   0.28850  1.0 1.0
   41    38    39    43   2.61350 -1.0 2.0
   41    38    39    43   0.78400  1.0 3.0
   42    41    45    46   1.00000 -1.0 2.0
   42    41    45    47   1.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    43   1.10000 -1.0 2.0
   48    44    43    39   1.10000 -1.0 2.0
   43    51    48    49   1.10000 -1.0 2.0
   33    50    49    48   1.10000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   47    41    45    46   1.00000 -1.0 2.0
END
