* LIGAND DATABASE FILE (OPLS2005)
*
001      60    60    105    163     313
    1     0 S   NP   _N1_     1    28.89265    95.97662   -25.35797
    2     1 S   H    _HN1     2     1.02799   120.45303  -102.87767
    3     1 S   H    _H1_     3     1.02945    73.96408    -0.66793
    4     1 S   H    _H2_     4     1.02826    33.16361  -178.48845
    5     1 S   CT   _CA1     5     1.50135   122.60192   103.63275
    6     5 S   HC   _HA1     6     1.09572   105.15385    94.19577
    7     5 S   CO3  _C1_     7     1.53760   112.44388   -26.03161
    8     7 S   O2Z  _O11     8     1.26380   115.00303   -42.82955
    9     7 S   O2Z  _O12     9     1.26228   114.94253   136.12418
   10     5 S   CT   _CB1    10     1.53045   107.39310  -147.81936
   11    10 S   HC   HB11    11     1.09848   109.33696   -48.99420
   12    10 S   HC   HB12    12     1.09809   110.47539    67.58753
   13    10 S   CT   _CG1    13     1.53046   112.66907  -169.89386
   14    13 S   HC   HG11    14     1.09559   110.81029   -67.95312
   15    13 S   HC   HG12    15     1.09663   109.65022    51.31495
   16    13 S   C    _CD1    16     1.51816   111.75728   171.87411
   17    16 S   O    _OE1    17     1.22778   123.07242    16.41408
   18    16 S   N    _N2_    18     1.38637   111.99983  -163.64393
   19    18 S   H    _HN2    19     1.01586   119.05138     0.70499
   20    18 S   CT1  _CA2    20     1.46231   123.30849   175.96852
   21    20 S   HC   _HA2    21     1.09738   109.23350     9.18902
   22    20 S   C    _C2_    22     1.53733   109.00349  -106.35313
   23    22 S   O    _O2_    23     1.23094   122.17813  -149.72118
   24    20 S   CT   _CB2    32     1.53346   111.69961   131.16089
   25    24 S   HC   HB21    33     1.09513   109.82373    57.11549
   26    24 S   HC   HB22    34     1.09516   110.07957   176.12728
   27    22 S   N    _N3_    24     1.38292   113.96327    37.78062
   28    27 S   H    _HN3    25     1.01525   119.63056    -3.17064
   29    24 S   S    _SG2    35     1.82661   111.59669   -63.88008
   30    27 S   CT   _CA3    26     1.45279   123.34029   177.29506
   31    30 S   HC   HA31    27     1.09545   107.51298   -65.07776
   32    30 S   HC   HA32    28     1.09554   108.00912    51.39714
   33    29 S   CT   _C10    36     1.83983    99.90676  -170.86817
   34    33 S   HC   _H4_    37     1.09798   105.15974    59.06707
   35    30 S   CO3  _C3_    29     1.52992   114.00576   173.40807
   36    35 S   O2Z  _O31    30     1.26392   116.08015    -0.04846
   37    35 S   O2Z  _O32    31     1.26423   114.42023  -180.00000
   38    33 S   CM   _C9_    38     1.50790   109.07619   171.89286
   39    38 S   HC   _H10    39     1.08739   118.56928   -38.61364
   40    38 S   CM   _C8_    40     1.34107   123.26130   142.85184
   41    40 S   HC   _H9_    41     1.08674   119.14817  -179.03166
   42    40 S   CT   _C7_    42     1.50495   123.51671     0.02798
   43    42 S   HC   _H3_    43     1.09843   106.27690  -105.17571
   44    42 S   CT   _C12    44     1.54805   112.52887    14.63167
   45    44 S   HC   _H6_    45     1.09687   108.82707  -167.09653
   46    42 S   OS   _O35    53     1.43816   107.85916   136.02801
   47    33 S   CT   _C11    46     1.54475   114.11298   -59.38694
   48    47 S   HC   _H5_    47     1.10004   106.47929    75.77234
   49    44 S   OH   _O36    51     1.43515   109.57734    77.36054
   50    49 S   HO   _H11    52     0.97224   107.21528   174.36894
   51    46 S   CM   _C5_    54     1.38307   112.82097   144.60848
   52    47 S   CO3  _C13    48     1.54297   120.10370   -45.03904
   53    52 S   O2Z  _O38    49     1.26087   116.62691   -30.09784
   54    52 S   O2Z  _O37    50     1.26578   114.21925   149.94449
   55    51 S   CM   _C4_    55     1.33746   120.63256   113.59803
   56    55 S   HC   _H7_    56     1.08491   120.51179    -2.97032
   57    55 S   HC   _H8_    57     1.08445   121.97209   177.01672
   58    51 S   CO3  _C6_    58     1.54650   118.15671   -72.00268
   59    58 S   O2Z  _O34    59     1.26500   115.91593   156.53522
   60    58 S   O2Z  _O33    60     1.26572   115.08560   -23.48482
  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   9   5   4   3
  14   7   2   1   1  10   4   9   4  12   6  10   6   9   6   4
   2   1   6   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    47    48    52    53    54    49  
   38    39    40    44    47    48    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47    48    52    46  
   40    41    42    47  
   41    42    43    44    45    47    49    46    51  
   42    43    44    46  
   43    44    45    47    48    52    49    50    46    51    55    58  
   44    45    47    49    46    51  
   45    47    48    52    53    54    49    50    46    51  
   47    48    52    49    50    46  
   51    55    56    57    58    59    60    47    49  
   48    52    53    54    49    50  
   52    53    54    49  
   50    52  
    0  
   55    56    57    58    59    60  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58  
   58  
   59    60  
   60  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.184000   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   52   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    47   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   340.000  1.080
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    49   320.000  1.410
   47    48   340.000  1.090
   47    52   317.000  1.522
   52    53   656.000  1.250
   52    54   656.000  1.250
   49    50   553.000  0.945
   46    51   440.000  1.360
   51    55   549.000  1.340
   51    58   230.000  1.545
   55    56   340.000  1.080
   55    57   340.000  1.080
   58    59   656.000  1.250
   58    60   656.000  1.250
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    47    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    47    44    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    52    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    42    70.00000  124.00000
   40    38    39    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    44    70.00000  112.02700
   40    42    46    85.00000  110.90400
   42    40    41    35.00000  117.00000
   42    44    45    37.50000  110.70000
   42    44    47    58.35000  112.70000
   42    44    49    50.00000  109.50000
   42    46    51    90.00000  111.18400
   44    42    43    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    52    70.00000  109.69300
   44    49    50    55.00000  108.50000
   47    33    34    37.50000  110.70000
   47    33    38    70.00000  112.02700
   47    44    45    37.50000  110.70000
   47    52    53    70.00000  117.00000
   47    52    54    70.00000  117.00000
   52    47    48    35.00000  109.50000
   54    52    53    80.00000  126.00000
   49    44    45    35.00000  109.50000
   49    44    47    50.00000  109.50000
   46    42    43    35.00000  109.50000
   46    42    44    50.00000  109.50000
   46    51    55    80.00000  120.01400
   46    51    58    80.00000  119.00000
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   51    58    59    85.00000  113.83300
   51    58    60    85.00000  113.83300
   57    55    56    35.00000  117.00000
   58    51    55    55.00000  124.75400
   60    58    59    80.00000  126.00000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    47    44   0.44750  1.0 1.0
   29    33    47    44  -0.17800 -1.0 2.0
   29    33    47    44   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    52   0.56750  1.0 1.0
   29    33    47    52  -0.07550 -1.0 2.0
   29    33    47    52   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    47    52    53   0.41150 -1.0 2.0
   33    47    52    54   0.41150 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    52  -0.11250  1.0 3.0
   38    33    47    44   0.34400  1.0 1.0
   38    33    47    44   0.09450 -1.0 2.0
   38    33    47    44   0.11100  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    52  -0.98800  1.0 1.0
   38    33    47    52   0.48800 -1.0 2.0
   38    33    47    52   0.76800  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46   0.39000  1.0 1.0
   38    40    42    46  -0.05800 -1.0 2.0
   38    40    42    46  -0.55150  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    47   0.34400  1.0 1.0
   40    42    44    47   0.09450 -1.0 2.0
   40    42    44    47   0.11100  1.0 3.0
   40    42    44    49   1.05650  1.0 1.0
   40    42    44    49   0.15600 -1.0 2.0
   40    42    44    49   0.53150  1.0 3.0
   40    42    46    51  -0.48150  1.0 1.0
   40    42    46    51   0.09250 -1.0 2.0
   40    42    46    51  -0.12850  1.0 3.0
   41    40    42    43   0.33100  1.0 3.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   42    44   -47    33   0.56750  1.0 1.0
   42    44   -47    33  -0.07550 -1.0 2.0
   42    44   -47    33   0.20000  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    52  -1.63150  1.0 1.0
   42    44    47    52  -0.43550 -1.0 2.0
   42    44    47    52   0.24500  1.0 3.0
   42    44    49    50  -0.11600  1.0 1.0
   42    44    49    50  -0.09450 -1.0 2.0
   42    44    49    50   0.21250  1.0 3.0
   42    46    51    55  -2.26850  1.0 1.0
   42    46    51    55   3.39050 -1.0 2.0
   42    46    51    58   0.15100 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    44    49   0.23400  1.0 3.0
   43    42    46    51   0.08050  1.0 3.0
   44    42    46    51  -0.46850  1.0 1.0
   44    42    46    51   0.09300 -1.0 2.0
   44    42    46    51  -0.12850  1.0 3.0
   44    47    52    53   0.41150 -1.0 2.0
   44    47    52    54   0.41150 -1.0 2.0
   45    44    47    33   0.15000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    52  -0.11250  1.0 3.0
   45    44    49    50   0.19450  1.0 3.0
   47    33    38    39   0.00000  1.0 1.0
   47    33   -38    40   0.09850  1.0 1.0
   47    33   -38    40   0.15250 -1.0 2.0
   47    33   -38    40  -0.50650  1.0 3.0
   47    44    49    50  -0.11600  1.0 1.0
   47    44    49    50  -0.09450 -1.0 2.0
   47    44    49    50   0.21250  1.0 3.0
   48    47    52    53   0.00000  1.0 1.0
   48    47    52    54   0.00000  1.0 1.0
   49    44    47    33   0.86500  1.0 1.0
   49    44    47    33  -0.17500 -1.0 2.0
   49    44    47    33   0.20800  1.0 3.0
   49    44    47    48   0.23400  1.0 3.0
   49    44    47    52  -5.33000  1.0 1.0
   49    44    47    52  -0.54250 -1.0 2.0
   49    44    47    52  -0.07300  1.0 3.0
   46    42    44    45   0.23400  1.0 3.0
   46    42    44    47   0.62750  1.0 1.0
   46    42    44    47  -0.30950 -1.0 2.0
   46    42    44    47   0.27300  1.0 3.0
   46    42    44    49   3.69350  1.0 1.0
   46    42    44    49  -1.82950 -1.0 2.0
   46    51    55    56   7.00000 -1.0 2.0
   46    51    55    57   7.00000 -1.0 2.0
   46    51    58    59  -0.11900  1.0 1.0
   46    51    58    59   0.76850 -1.0 2.0
   46    51    58    59   0.14100  1.0 3.0
   46    51    58    60  -0.11900  1.0 1.0
   46    51    58    60   0.76850 -1.0 2.0
   46    51    58    60   0.14100  1.0 3.0
   55    51    58    59  -0.04000 -1.0 2.0
   55    51    58    59  -0.29050  1.0 3.0
   55    51    58    60  -0.04000 -1.0 2.0
   55    51    58    60  -0.29050  1.0 3.0
   58    51    55    56   7.00000 -1.0 2.0
   58    51    55    57   7.00000 -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    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   53    47    52    54  10.50000 -1.0 2.0
   46    58    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
   59    51    58    60  10.50000 -1.0 2.0
END
