* LIGAND DATABASE FILE (OPLS2005)
*
001      62    62    111    161     321
    1     0 S   NP   _N1_     1    28.75190    96.26687   -23.98439
    2     1 S   H    _HN1     2     1.02950    73.31811    13.31299
    3     1 S   H    _H1_     3     1.02829    35.97848   172.51046
    4     1 S   H    _H2_     4     1.02785   107.64156   -91.14658
    5     1 S   CT   _CA1     5     1.50113   135.65530   115.67554
    6     5 S   HC   _HA1     6     1.09573   105.20486    90.97944
    7     5 S   CO3  _C1_     7     1.53792   112.42586   -29.26643
    8     7 S   O2Z  _O11     8     1.26373   115.00653   -43.21062
    9     7 S   O2Z  _O12     9     1.26238   114.94280   135.90582
   10     5 S   CT   _CB1    10     1.53079   107.41994  -151.04208
   11    10 S   HC   HB11    11     1.09832   109.38828   -49.75599
   12    10 S   HC   HB12    12     1.09814   110.43994    66.85005
   13    10 S   CT   _CG1    13     1.52990   112.60527  -170.74004
   14    13 S   HC   HG11    14     1.09585   110.60761   -65.06593
   15    13 S   HC   HG12    15     1.09668   109.81823    54.16981
   16    13 S   C    _CD1    16     1.51801   112.23414   174.61992
   17    16 S   O    _OE1    17     1.22732   123.28969     5.65402
   18    16 S   N    _N2_    18     1.38652   111.66553  -174.45426
   19    18 S   H    _HN2    19     1.01585   118.95250     1.78652
   20    18 S   CT1  _CA2    20     1.46186   123.37489   178.03517
   21    20 S   HC   _HA2    21     1.09737   109.35379     1.63698
   22    20 S   C    _C2_    22     1.53521   108.71233  -113.88565
   23    22 S   O    _O2_    23     1.23061   122.24936  -148.49776
   24    20 S   CT   _CB2    32     1.53317   111.54504   123.59757
   25    24 S   HC   HB21    33     1.09529   110.00726    56.81448
   26    24 S   HC   HB22    34     1.09527   110.18158   175.81732
   27    22 S   N    _N3_    24     1.38321   113.71513    38.98289
   28    27 S   H    _HN3    25     1.01592   119.57354    -3.44253
   29    24 S   S    _SG2    35     1.82724   111.48055   -64.55577
   30    27 S   CT   _CA3    26     1.45289   123.20298   177.07310
   31    30 S   HC   HA31    27     1.09550   107.51784   -64.32503
   32    30 S   HC   HA32    28     1.09557   107.97269    52.10681
   33    29 S   CT   _C13    36     1.83276    99.48700   179.34598
   34    33 S   Br   BR16    37     1.97655   107.32906   -82.20793
   35    33 S   HC   _H3_    38     1.09499   110.56015    30.47944
   36    30 S   CO3  _C3_    29     1.52956   114.08993   174.09837
   37    36 S   O2Z  _O31    30     1.26375   116.06458    -0.65909
   38    36 S   O2Z  _O32    31     1.26428   114.41278   179.40160
   39    33 S   CO   _C10    39     1.55537   113.48973   155.67892
   40    39 S   CM   _C4_    40     1.54164   112.22085   -61.11770
   41    39 S   OH   _O34    61     1.43635   107.24557  -179.37099
   42    41 S   HO   _H28    62     0.97169   108.43037   155.55715
   43    40 S   CM   _C5_    41     1.34822   120.11577   127.34344
   44    43 S   Cl   CL14    42     1.73026   123.48312  -178.02513
   45    40 S   CT   _C11    57     1.51057   116.01341   -53.55034
   46    45 S   HC   _H21    58     1.09498   110.48437   -46.27077
   47    45 S   HC   _H22    59     1.09302   113.40193  -165.42665
   48    45 S   HC   _H23    60     1.09414   110.60489    73.73087
   49    43 S   CT   _C8_    43     1.50112   122.33724     2.72074
   50    49 S   HC   _H18    44     1.09705   110.88277   140.88266
   51    49 S   HC   _H19    45     1.09690   107.66319  -101.63508
   52    49 S   CT   _C9_    46     1.53057   110.29108    19.99479
   53    52 S   HC   _H20    47     1.09649   109.81061    65.25286
   54    39 S   OS   _O33    48     1.44020   106.83100    62.84526
   55    52 S   CM   _C7_    49     1.51907   111.97151  -172.26670
   56    55 S   CM   _C6_    50     1.34258   124.02509  -104.28170
   57    56 S   Cl   CL15    51     1.71305   126.03786     1.18366
   58    56 S   HC   _H17    52     1.08313   123.16886  -179.71061
   59    55 S   CT   _C12    53     1.50900   116.85380    75.96371
   60    59 S   HC   _H24    54     1.09400   110.83597   -57.86125
   61    59 S   HC   _H25    55     1.09472   110.65970    62.70921
   62    59 S   HC   _H26    56     1.09563   112.08537  -177.60502
  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   7   5   4   3
  10   5   4   2   1   1  14  13   5   1  12   5   5   2   1   1
   8   5   4  10   4   3   7   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    54    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    43    52    54    45    41    42  
   35    39    40    54    41  
   39    40    54    41  
   37    38  
   38  
    0  
   40    43    44    49    52    53    54    55    45    46    47    48    41    42  
   43    44    49    50    51    52    54    45    46    47    48    41    42  
   42    43    45    52    54  
   54  
   44    49    50    51    52    53    54    55    45    46    47    48  
   49    50    51    52    45  
   46    47    48    49    54  
   47    48  
   48  
    0  
   50    51    52    53    54    55    56    59  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    59  
   55    56    59  
   56    57    58    59    60    61    62  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    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   3.5000   0.0660   0.065000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   35   2.5000   0.0300   0.146400   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.005000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   245.000  1.990
   33    35   340.000  1.090
   33    39   250.000  1.527
   39    40   317.000  1.510
   39    54   320.000  1.380
   39    41   380.000  1.407
   40    43   549.000  1.340
   40    45   317.000  1.510
   43    44   300.000  1.725
   43    49   317.000  1.510
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   320.000  1.410
   52    55   317.000  1.510
   55    56   549.000  1.340
   55    59   317.000  1.510
   56    57   300.000  1.725
   56    58   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   41    42   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    65.00000  111.00000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    70.00000  112.02700
   33    39    54    90.00000  108.56700
   33    39    41    90.00000  110.19100
   35    33    34    51.00000  107.60000
   39    33    34    70.00000  109.17700
   39    33    35    45.00000  108.72000
   39    40    43    70.00000  124.00000
   39    40    45    65.00000  117.92700
   39    54    52    60.00000  109.50000
   39    41    42    70.00000  107.92000
   40    43    44    75.00000  121.50000
   40    43    49    70.00000  124.00000
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    70.00000  112.02700
   49    43    44    75.00000  111.02000
   49    52    53    37.50000  110.70000
   49    52    54    50.00000  109.50000
   49    52    55    70.00000  112.02700
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    70.00000  124.00000
   52    55    59    65.00000  117.92700
   54    39    40    85.00000  110.90400
   54    52    53    35.00000  109.50000
   55    52    53    35.00000  109.50000
   55    52    54    85.00000  110.90400
   55    56    57    75.00000  121.50000
   55    56    58    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   58    56    57    60.00000  114.00000
   59    55    56    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    40    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   41    39    40    90.00000  110.39200
   41    39    54   110.00000  112.08000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   33    39    40    43   0.09850  1.0 1.0
   33    39    40    43   0.15250 -1.0 2.0
   33    39    40    43  -0.50650  1.0 3.0
   33    39    40    45   0.46850  1.0 1.0
   33    39    40    45   0.08550 -1.0 2.0
   33    39    40    45   0.09800  1.0 3.0
   33    39    54    52   0.06250  1.0 1.0
   33    39    54    52  -0.01100 -1.0 2.0
   33    39    54    52   0.28050  1.0 3.0
   33    39    41    42  -0.11600  1.0 1.0
   33    39    41    42  -0.09450 -1.0 2.0
   33    39    41    42   0.21250  1.0 3.0
   34    33    39    40   0.56750  1.0 1.0
   34    33    39    40  -0.07550 -1.0 2.0
   34    33    39    40   0.20000  1.0 3.0
   34    33    39    54   0.56750  1.0 1.0
   34    33    39    54  -0.07550 -1.0 2.0
   34    33    39    54   0.20000  1.0 3.0
   34    33    39    41   0.56750  1.0 1.0
   34    33    39    41  -0.07550 -1.0 2.0
   34    33    39    41   0.20000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    54   0.23400  1.0 3.0
   35    33    39    41   0.23400  1.0 3.0
   39    40    43    44   7.00000 -1.0 2.0
   39    40    43    49   7.00000 -1.0 2.0
   39    40    45    46   0.34800  1.0 3.0
   39    40    45    47   0.34800  1.0 3.0
   39    40    45    48   0.34800  1.0 3.0
   40    39    54    52  -0.77900  1.0 1.0
   40    39    54    52  -0.36900 -1.0 2.0
   40    39    54    52   0.40400  1.0 3.0
   40    39    41    42  -0.07800  1.0 1.0
   40    39    41    42  -0.21500 -1.0 2.0
   40    39    41    42  -0.03150  1.0 3.0
   40    43    49    50   0.00000  1.0 1.0
   40    43    49    51   0.00000  1.0 1.0
   40    43   -49    52   0.09850  1.0 1.0
   40    43   -49    52   0.15250 -1.0 2.0
   40    43   -49    52  -0.50650  1.0 3.0
   43    40    45    46   0.00000  1.0 1.0
   43    40    45    47   0.00000  1.0 1.0
   43    40    45    48   0.00000  1.0 1.0
   43    49    52    53   0.15000  1.0 3.0
   43    49    52    54   0.61850  1.0 1.0
   43    49    52    54  -0.22750 -1.0 2.0
   43    49    52    54   0.15300  1.0 3.0
   43    49    52    55   0.31000  1.0 1.0
   43    49    52    55   0.14700 -1.0 2.0
   43    49    52    55   0.07550  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.00000  1.0 1.0
   44    43    49    52   0.09700  1.0 1.0
   44    43    49    52   0.15600 -1.0 2.0
   44    43    49    52  -0.50800  1.0 3.0
   49    52   -54    39   0.06250  1.0 1.0
   49    52   -54    39  -0.01100 -1.0 2.0
   49    52   -54    39   0.28050  1.0 3.0
   49    52    55    56   0.09850  1.0 1.0
   49    52    55    56   0.15250 -1.0 2.0
   49    52    55    56  -0.50650  1.0 3.0
   49    52    55    59   0.46850  1.0 1.0
   49    52    55    59   0.08550 -1.0 2.0
   49    52    55    59   0.09800  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.23400  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.23400  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    56    57   7.00000 -1.0 2.0
   52    55    56    58   7.00000 -1.0 2.0
   52    55    59    60   0.34800  1.0 3.0
   52    55    59    61   0.34800  1.0 3.0
   52    55    59    62   0.34800  1.0 3.0
   53    52    54    39   0.37050  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    59   0.34800  1.0 3.0
   54    39   -40    43   0.39000  1.0 1.0
   54    39   -40    43  -0.05800 -1.0 2.0
   54    39   -40    43  -0.55150  1.0 3.0
   54    39    40    45   0.09700  1.0 1.0
   54    39    40    45   0.15600 -1.0 2.0
   54    39    40    45  -0.50800  1.0 3.0
   54    39    41    42  -0.50000  1.0 1.0
   54    39    41    42  -0.73950 -1.0 2.0
   54    39    41    42   0.17150  1.0 3.0
   54    52    55    56   0.39000  1.0 1.0
   54    52    55    56  -0.05800 -1.0 2.0
   54    52    55    56  -0.55150  1.0 3.0
   54    52    55    59   0.09700  1.0 1.0
   54    52    55    59   0.15600 -1.0 2.0
   54    52    55    59  -0.50800  1.0 3.0
   55    52    54    39  -0.77900  1.0 1.0
   55    52    54    39  -0.36900 -1.0 2.0
   55    52    54    39   0.40400  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   56    55    59    62   0.00000  1.0 1.0
   59    55    56    57   7.00000 -1.0 2.0
   59    55    56    58   7.00000 -1.0 2.0
   45    40    43    44   7.00000 -1.0 2.0
   45    40    43    49   7.00000 -1.0 2.0
   41    39    40    43   0.67800  1.0 1.0
   41    39    40    43   0.47050 -1.0 2.0
   41    39    40    43  -0.62500  1.0 3.0
   41    39    40    45   0.18000  1.0 1.0
   41    39    40    45   0.16450 -1.0 2.0
   41    39    40    45   0.04450  1.0 3.0
   41    39    54    52  -0.81800  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    45    40    43   1.10000 -1.0 2.0
   49    44    43    40   1.10000 -1.0 2.0
   52    59    55    56  15.00000 -1.0 2.0
   57    58    56    55  15.00000 -1.0 2.0
END
