* LIGAND DATABASE FILE (OPLS2005)
*
001      63    64    113    176     333
    1     0 S   NP   _N1_     1    28.74116    95.75923   -23.64528
    2     1 S   H    _HN1     2     1.02951    75.03000    14.35285
    3     1 S   H    _H1_     3     1.02828    34.42256   172.48015
    4     1 S   H    _H2_     4     1.02784   107.11769   -90.65453
    5     1 S   CT   _CA1     5     1.50122   135.36347   118.36616
    6     5 S   HC   _HA1     6     1.09575   105.19118    88.54136
    7     5 S   CO3  _C1_     7     1.53786   112.47106   -31.67205
    8     7 S   O2Z  _O11     8     1.26372   115.00386   -42.18558
    9     7 S   O2Z  _O12     9     1.26243   114.94753   136.93511
   10     5 S   CT   _CB1    10     1.53081   107.41289  -153.49073
   11    10 S   HC   HB11    11     1.09832   109.34400   -49.86618
   12    10 S   HC   HB12    12     1.09814   110.45223    66.73350
   13    10 S   CT   _CG1    13     1.52989   112.62101  -170.86103
   14    13 S   HC   HG11    14     1.09583   110.61260   -65.90471
   15    13 S   HC   HG12    15     1.09673   109.79753    53.32495
   16    13 S   C    _CD1    16     1.51803   112.24979   173.74677
   17    16 S   O    _OE1    17     1.22727   123.30229     6.21663
   18    16 S   N    _N2_    18     1.38658   111.65633  -173.75710
   19    18 S   H    _HN2    19     1.01578   118.90834     1.70628
   20    18 S   CT1  _CA2    20     1.46196   123.41036   177.50189
   21    20 S   HC   _HA2    21     1.09734   109.38170     3.70729
   22    20 S   C    _C2_    22     1.53560   108.60284  -111.83484
   23    22 S   O    _O2_    23     1.23065   122.26789  -147.43074
   24    20 S   CT   _CB2    32     1.53323   111.56916   125.76344
   25    24 S   HC   HB21    33     1.09533   109.92700    56.31641
   26    24 S   HC   HB22    34     1.09506   110.13697   175.33898
   27    22 S   N    _N3_    24     1.38320   113.73964    39.96099
   28    27 S   H    _HN3    25     1.01580   119.61423    -3.17780
   29    24 S   S    _SG2    35     1.82589   111.57533   -64.73307
   30    27 S   CT   _CA3    26     1.45289   123.20197   177.18624
   31    30 S   HC   HA31    27     1.09550   107.50187   -64.81375
   32    30 S   HC   HA32    28     1.09558   107.99331    51.62352
   33    29 S   CT   _C9_    36     1.82331    99.44104  -177.81502
   34    33 S   F    F1__    37     1.36400   108.46907    56.11141
   35    30 S   CO3  _C3_    29     1.52960   114.08915   173.63323
   36    35 S   O2Z  _O31    30     1.26376   116.07407    -0.52526
   37    35 S   O2Z  _O32    31     1.26430   114.40910   179.53396
   38    33 S   CT   _C10    38     1.52222   116.08785   -65.34765
   39    38 S   HC   _H4_    39     1.09439   113.39690    78.43883
   40    38 S   CT   _C11    40     1.53046   102.62140  -159.87554
   41    40 S   HC   _H5_    41     1.09602   112.03493   143.40200
   42    38 S   OH   _O36    62     1.42698   110.95608   -43.97508
   43    42 S   HO   _H13    63     0.97278   107.68538  -178.09844
   44    40 S   OS   _O34    42     1.44641   106.69070    27.02732
   45    40 S   CT   _C12    57     1.52762   112.94916   -92.04131
   46    45 S   HC   _H10    58     1.09340   111.95149    68.33766
   47    45 S   HC   _H11    59     1.09435   110.80875   -54.10413
   48    33 S   CO   _C8_    43     1.53305   113.33933   177.98055
   49    48 S   HC   _H3_    44     1.09736   110.29729    46.49831
   50    45 S   OH   _O35    60     1.42432   108.99685  -172.65495
   51    50 S   HO   _H12    61     0.97244   107.10714  -179.29640
   52    48 S   N*   _N4_    45     1.46945   115.13921   -77.42651
   53    52 S   CNA  _C5_    46     1.37828   119.98972   -76.09150
   54    53 S   HC   _H7_    47     1.08341   117.42366    -0.81421
   55    53 S   CM   _C4_    48     1.33135   122.06067   179.10737
   56    55 S   HC   _H6_    49     1.08132   123.13016  -179.97202
   57    55 S   CDX  _C7_    50     1.48237   116.35577    -0.07662
   58    57 S   NNC  _N5_    51     1.30440   121.87415    -0.10087
   59    57 S   NND  _N6_    54     1.37268   118.49690   179.92598
   60    59 S   H    _H8_    55     1.01364   122.35899    -0.04846
   61    59 S   H    _H9_    56     1.01387   120.20993   179.96044
   62    52 S   C    _C6_    52     1.40912   119.62840   102.69082
   63    62 S   O    _O33    53     1.23195   121.58107     0.90352
  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  10   5   4   3
  14   8   2   1   1  13   7  12   7   4   1   9   5   3   2   8
   3   1   1   8   8   4   7   3   6   5   3   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    52    53    62    45    42    43  
   38    39    40    44    48    49    52    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    52    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    52    45    46    47    50    51    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    52    53    62    45    46    47    50  
   46    47    50    51    48  
   47    50    51  
   50    51  
   49    52    53    54    55    58    62    63  
   52    53    62  
   51  
    0  
   53    54    55    56    57    58    62    63  
   54    55    56    57    58    62    63    59  
   55    56    57    62  
   56    57    58    62    59    60    61  
   57    58    59  
   58    62    63    59    60    61  
   62    63    59    60    61  
   60    61    62  
   61  
    0  
   63  
    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   0.227500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.1200   0.1700  -0.655000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.0000   0.0000   0.390000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   53   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   59   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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   367.000  1.332
   33    38   268.000  1.529
   33    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    52   275.000  1.479
   52    53   448.000  1.365
   52    62   418.000  1.388
   53    54   367.000  1.080
   53    55   549.000  1.340
   55    56   340.000  1.080
   55    57   427.000  1.433
   57    58   585.000  1.311
   57    59   481.000  1.340
   58    62   457.000  1.358
   62    63   570.000  1.229
   59    60   434.000  1.010
   59    61   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    51   553.000  0.945
   42    43   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    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    90.00000  110.13500
   29    33    38    75.00000  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    52    75.00000  107.44000
   38    33    34    50.00000  109.50000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    52   105.00000  106.22000
   48    33    34    85.00000  108.48100
   48    33    38    75.00000  109.43000
   48    52    53    70.00000  121.20000
   48    52    62    70.00000  117.60000
   52    48    49    55.00000  103.44000
   52    53    54    35.00000  119.10000
   52    53    55    70.00000  121.20000
   52    62    58    70.00000  118.60000
   52    62    63    80.00000  120.60000
   53    55    56    35.00000  120.00000
   53    55    57    85.00000  117.00000
   55    53    54    35.00000  119.70000
   55    57    58    70.00000  121.02800
   55    57    59    70.00000  120.10000
   57    55    56    35.00000  123.30000
   57    58    62    70.00000  123.15400
   57    59    60    35.00000  120.00000
   57    59    61    35.00000  120.00000
   58    62    63    80.00000  122.50000
   62    52    53    70.00000  121.60000
   59    57    58    70.00000  119.30000
   61    59    60    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    51    55.00000  108.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    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   0.01700  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   0.01700  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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    52    53   2.08450  1.0 1.0
   33    48    52    53  -0.39300 -1.0 2.0
   33    48    52    53   0.23400  1.0 3.0
   33    48    52    62  -0.43950  1.0 1.0
   33    48    52    62  -0.08100 -1.0 2.0
   33    48    52    62   0.03350  1.0 3.0
   34    33    38    39   0.22100  1.0 3.0
   34    33    38    40   0.39650  1.0 1.0
   34    33    38    40  -0.18350 -1.0 2.0
   34    33    38    40   0.41450  1.0 3.0
   34    33    38    42   1.44150  1.0 1.0
   34    33    38    42  -0.96950 -1.0 2.0
   34    33    38    42   0.13600  1.0 3.0
   34    33    48    44   0.51850  1.0 1.0
   34    33    48    44  -0.72850 -1.0 2.0
   34    33    48    49   0.22100  1.0 3.0
   34    33    48    52   0.56750  1.0 1.0
   34    33    48    52  -0.07550 -1.0 2.0
   34    33    48    52   0.20000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    52  -0.27100  1.0 1.0
   38    33    48    52  -0.01700 -1.0 2.0
   38    33    48    52  -0.48600  1.0 3.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.86500  1.0 1.0
   38    40    45    50  -0.17500 -1.0 2.0
   38    40    45    50   0.20800  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    52  -2.37750  1.0 1.0
   40    44    48    52  -0.08150 -1.0 2.0
   40    44    48    52   0.59000  1.0 3.0
   40    45    50    51  -0.11600  1.0 1.0
   40    45    50    51  -0.09450 -1.0 2.0
   40    45    50    51   0.21250  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   3.69350  1.0 1.0
   44    40    45    50  -1.82950 -1.0 2.0
   44    48    52    53  -0.28000  1.0 1.0
   44    48    52    53  -1.16550 -1.0 2.0
   44    48    52    62  -2.75650  1.0 1.0
   44    48    52    62  -1.18150 -1.0 2.0
   44    48    52    62   0.81900  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    52    53    54   1.88100 -1.0 2.0
   48    52    53    55  -0.88150  1.0 1.0
   48    52    53    55   2.95600 -1.0 2.0
   48    52    62    58   3.62500 -1.0 2.0
   48    52    62    63   3.04450 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    62   0.00000  1.0 1.0
   52    53    55    56   0.97550 -1.0 2.0
   52    53    55    57   7.00000 -1.0 2.0
   53    52    62    58   3.62500 -1.0 2.0
   53    52    62    63   2.67200 -1.0 2.0
   53    55   -57    58   7.00000 -1.0 2.0
   53    55    57    59   7.00000 -1.0 2.0
   54    53    55    56   7.00000 -1.0 2.0
   54    53    55    57   7.00000 -1.0 2.0
   55    57    58    62   3.62500 -1.0 2.0
   55    57    59    60   0.70000 -1.0 2.0
   55    57    59    61   0.70000 -1.0 2.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    59   7.00000 -1.0 2.0
   57    58   -62    52   3.62500 -1.0 2.0
   57    58    62    63   3.04450 -1.0 2.0
   58    57    59    60   0.70000 -1.0 2.0
   58    57    59    61   0.70000 -1.0 2.0
   62    52    53    54   1.44600  1.0 1.0
   62    52   -53    55  -0.18900  1.0 1.0
   62    52   -53    55   1.70900 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   46    45    50    51   0.19450  1.0 3.0
   47    45    50    51   0.19450  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  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
   36    30    35    37  10.50000 -1.0 2.0
   53    62    52    48   1.00000 -1.0 2.0
   52    54    53    55   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   59    55    57    58  10.50000 -1.0 2.0
   52    58    62    63  10.50000 -1.0 2.0
   61    57    59    60   1.00000 -1.0 2.0
END
