* LIGAND DATABASE FILE (OPLS2005)
*
001      68    68    123    182     360
    1     0 S   NP   _N1_     1    28.62520    94.88725   -22.25597
    2     1 S   H    _HN1     2     1.02838    29.99128   161.47215
    3     1 S   H    _H1_     3     1.02781    95.62919   -82.01027
    4     1 S   H    _H2_     4     1.02959    85.89171    26.02223
    5     1 S   CT   _CA1     5     1.50113   139.74795   143.17155
    6     5 S   HC   _HA1     6     1.09574   105.24822    68.84163
    7     5 S   CO3  _C1_     7     1.53805   112.36775   -51.41405
    8     7 S   O2Z  _O11     8     1.26361   115.01655   -44.52182
    9     7 S   O2Z  _O12     9     1.26239   114.92475   134.69606
   10     5 S   CT   _CB1    10     1.53099   107.43763  -173.22193
   11    10 S   HC   HB11    11     1.09824   109.39992   -50.58906
   12    10 S   HC   HB12    12     1.09820   110.38897    65.97551
   13    10 S   CT   _CG1    13     1.53009   112.65005  -171.67803
   14    13 S   HC   HG11    14     1.09596   110.43182   -62.61637
   15    13 S   HC   HG12    15     1.09647   110.00902    56.60521
   16    13 S   C    _CD1    16     1.51812   112.31129   177.00134
   17    16 S   O    _OE1    17     1.22720   123.26496    -3.13650
   18    16 S   N    _N2_    18     1.38636   111.62605   176.97664
   19    18 S   H    _HN2    19     1.01584   119.03917     1.57010
   20    18 S   CT1  _CA2    20     1.46203   123.38356  -179.16327
   21    20 S   HC   _HA2    21     1.09732   109.37359    -8.01102
   22    20 S   C    _C2_    22     1.53463   108.56288  -123.69455
   23    22 S   O    _O2_    23     1.23030   122.13348  -146.84448
   24    20 S   CT   _CB2    32     1.53408   111.45224   113.95396
   25    24 S   HC   HB21    33     1.09569   109.82044    56.21900
   26    24 S   HC   HB22    34     1.09520   110.33816   175.20066
   27    22 S   N    _N3_    24     1.38468   113.46486    40.54779
   28    27 S   H    _HN3    25     1.01522   118.91520    -0.98794
   29    24 S   S    _SG2    35     1.82676   111.78717   -64.91138
   30    27 S   CT   _CA3    26     1.45474   123.66855   175.25641
   31    30 S   HC   HA31    27     1.09515   109.51042    18.44016
   32    30 S   HC   HA32    28     1.09513   107.04352   135.48103
   33    29 S   CT   _C10    36     1.83195    99.14662   178.07461
   34    33 S   HC   _H3_    37     1.09716   106.32941    59.54903
   35    30 S   CO3  _C3_    29     1.52926   112.95847  -105.23623
   36    35 S   O2Z  _O31    30     1.26423   115.35526   -45.40834
   37    35 S   O2Z  _O32    31     1.26353   115.01677   135.48667
   38    33 S   CT   _C7_    38     1.54408   111.37692   178.37081
   39    38 S   HC   _H19    39     1.09769   109.98810   -62.26300
   40    38 S   CT   _C8_    40     1.54394   108.74551   179.34210
   41    40 S   HC   _H20    41     1.09842   107.06050    66.51637
   42    38 S   N    _N12    61     1.46715   111.43553    56.19275
   43    42 S   H    _H33    62     1.01463   117.56867    35.41151
   44    40 S   CT   _C6_    42     1.54338   112.80561   -51.14338
   45    44 S   HC   _H18    43     1.09731   108.66895   170.08986
   46    40 S   OH   _O16    59     1.42292   111.12179  -178.43777
   47    46 S   HO   _H34    60     0.97293   107.98069   169.27327
   48    42 S   C    _C5_    63     1.38300   123.39928  -145.82790
   49    48 S   O    _O14    64     1.22764   125.69134     0.87424
   50    44 S   CT   _C9_    44     1.54039   108.96844    50.92956
   51    50 S   HC   _H21    45     1.09820   109.24981    63.71579
   52    44 S   N    _N11    51     1.46386   111.68394   -72.64537
   53    52 S   H    _H32    52     1.01503   117.85028    90.02806
   54    48 S   CT   _C12    65     1.50476   112.36098  -178.24008
   55    54 S   HC   _H26    66     1.09328   109.34234    76.47507
   56    54 S   HC   _H27    67     1.09348   109.61774  -163.72201
   57    54 S   HC   _H28    68     1.09384   110.54867   -44.09217
   58    33 S   OS   _O15    46     1.43374   111.01013   -58.43468
   59    50 S   CT   _C13    47     1.52460   113.19296  -176.47286
   60    59 S   HC   _H29    48     1.09509   111.71939    66.60820
   61    59 S   HC   _H30    49     1.09409   111.32103   -55.53783
   62    59 S   HC   _H31    50     1.09571   109.97998  -175.76451
   63    52 S   C    _C4_    53     1.38312   123.09023   -87.03905
   64    63 S   O    _O13    54     1.22803   125.33561    -2.04066
   65    63 S   CT   _C11    55     1.50441   112.56431   179.11751
   66    65 S   HC   _H23    56     1.09327   109.33347    77.96627
   67    65 S   HC   _H24    57     1.09348   109.58373  -162.17965
   68    65 S   HC   _H25    58     1.09376   110.60303   -42.58348
  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
  14   6   2   1   1  15   8  15   7  10   3  15   8   3   1   5
   4   9   6   9   3   3   2   1   1   4   3   2   1   1   5   4
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    58    59    46    42    43    48  
   38    39    40    50    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    58    52    46    47    42    43    48    49    54  
   40    41    44    58    46    42    43    48  
   41    44    45    50    51    58    59    52    53    63    46    47    42    43    48  
   44    45    50    52    46    47    42  
   43    48    49    54    55    56    57    44    46    58  
   48    49    54  
   45    50    51    58    59    60    61    62    52    53    63    64    65    46    47  
   50    51    58    59    52    53    63    46  
   47    50    52  
    0  
   49    54    55    56    57  
   54    55    56    57  
   51    58    59    60    61    62    52    53    63  
   58    59    60    61    62    52  
   53    63    64    65    66    67    68    58    59  
   63    64    65  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68  
   67    68  
   68  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   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    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   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    52   337.000  1.449
   50    51   340.000  1.090
   50    58   320.000  1.410
   50    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   52    53   434.000  1.010
   52    63   490.000  1.335
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   46    47   553.000  0.945
   42    43   434.000  1.010
   42    48   490.000  1.335
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
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  111.63000
   29    33    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    58    50    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    38.00000  118.40000
   38    42    48    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    44    52    70.00000  110.72300
   40    46    47    55.00000  108.50000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    58    50.00000  109.50000
   44    50    59    58.35000  112.70000
   44    52    53    38.00000  118.40000
   44    52    63    50.00000  121.90000
   50    44    45    37.50000  110.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   50    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    50    51    35.00000  109.50000
   59    50    51    37.50000  110.70000
   59    50    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   52    44    45    35.00000  109.50000
   52    44    50    70.00000  110.72300
   52    63    64    80.00000  122.90000
   52    63    65    70.00000  116.60000
   63    52    53    35.00000  119.80000
   63    65    66    35.00000  109.50000
   63    65    67    35.00000  109.50000
   63    65    68    35.00000  109.50000
   65    63    64    80.00000  120.40000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    48    49    80.00000  122.90000
   42    48    54    70.00000  116.60000
   48    42    43    35.00000  119.80000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   54    48    49    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
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   0.01700  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    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   0.57400  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    58    50   0.14700  1.0 1.0
   29    33    58    50  -1.16150 -1.0 2.0
   29    33    58    50   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    48  -0.43950  1.0 1.0
   33    38    42    48  -0.08100 -1.0 2.0
   33    38    42    48   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    58    50   0.37050  1.0 3.0
   38    33    58    50   0.06250  1.0 1.0
   38    33    58    50  -0.01100 -1.0 2.0
   38    33    58    50   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   0.56750  1.0 1.0
   38    40   -44    50  -0.07550 -1.0 2.0
   38    40   -44    50   0.20000  1.0 3.0
   38    40    44    52  -0.27100  1.0 1.0
   38    40    44    52  -0.01700 -1.0 2.0
   38    40    44    52  -0.48600  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   38    42    48    49   3.04450 -1.0 2.0
   38    42    48    54   1.49850  1.0 1.0
   38    42    48    54   1.53950 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    48  -0.43950  1.0 1.0
   40    38    42    48  -0.08100 -1.0 2.0
   40    38    42    48   0.03350  1.0 3.0
   40    44    50    51   0.15000  1.0 3.0
   40    44    50    58   0.62750  1.0 1.0
   40    44    50    58  -0.30950 -1.0 2.0
   40    44    50    58   0.27300  1.0 3.0
   40    44    50    59   0.56750  1.0 1.0
   40    44    50    59  -0.07550 -1.0 2.0
   40    44    50    59   0.20000  1.0 3.0
   40    44    52    53   0.00000  1.0 1.0
   40    44    52    63  -0.43950  1.0 1.0
   40    44    52    63  -0.08100 -1.0 2.0
   40    44    52    63   0.03350  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    52   0.15000  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    50   -58    33   0.06250  1.0 1.0
   44    50   -58    33  -0.01100 -1.0 2.0
   44    50   -58    33   0.28050  1.0 3.0
   44    50    59    60   0.15000  1.0 3.0
   44    50    59    61   0.15000  1.0 3.0
   44    50    59    62   0.15000  1.0 3.0
   44    52    63    64   3.04450 -1.0 2.0
   44    52    63    65   1.49850  1.0 1.0
   44    52    63    65   1.53950 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.23400  1.0 3.0
   45    44    50    59   0.15000  1.0 3.0
   45    44    52    53   0.00000  1.0 1.0
   45    44    52    63   0.00000  1.0 1.0
   50    44    52    53   0.00000  1.0 1.0
   50    44    52    63  -0.43950  1.0 1.0
   50    44    52    63  -0.08100 -1.0 2.0
   50    44    52    63   0.03350  1.0 3.0
   51    50    58    33   0.37050  1.0 3.0
   51    50    59    60   0.15000  1.0 3.0
   51    50    59    61   0.15000  1.0 3.0
   51    50    59    62   0.15000  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42   1.12100  1.0 1.0
   58    33    38    42  -0.16500 -1.0 2.0
   58    50    59    60   0.23400  1.0 3.0
   58    50    59    61   0.23400  1.0 3.0
   58    50    59    62   0.23400  1.0 3.0
   59    50    58    33   0.06250  1.0 1.0
   59    50    58    33  -0.01100 -1.0 2.0
   59    50    58    33   0.28050  1.0 3.0
   52    44    50    51   0.15000  1.0 3.0
   52    44    50    58   1.12100  1.0 1.0
   52    44    50    58  -0.16500 -1.0 2.0
   52    44    50    59   0.43900  1.0 1.0
   52    44    50    59   0.49100 -1.0 2.0
   52    44    50    59   0.28400  1.0 3.0
   52    63    65    66   0.00000  1.0 1.0
   52    63    65    67   0.00000  1.0 1.0
   52    63    65    68   0.00000  1.0 1.0
   53    52    63    64   2.45000 -1.0 2.0
   53    52    63    65   2.45000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    68   0.00000  1.0 1.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    50   0.86500  1.0 1.0
   46    40    44    50  -0.17500 -1.0 2.0
   46    40    44    50   0.20800  1.0 3.0
   46    40    44    52   2.76900  1.0 1.0
   46    40    44    52  -0.24350 -1.0 2.0
   46    40    44    52  -0.78250  1.0 3.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -0.27100  1.0 1.0
   42    38    40    44  -0.01700 -1.0 2.0
   42    38    40    44  -0.48600  1.0 3.0
   42    38    40    46   2.76900  1.0 1.0
   42    38    40    46  -0.24350 -1.0 2.0
   42    38    40    46  -0.78250  1.0 3.0
   42    48    54    55   0.00000  1.0 1.0
   42    48    54    56   0.00000  1.0 1.0
   42    48    54    57   0.00000  1.0 1.0
   43    42    48    49   2.45000 -1.0 2.0
   43    42    48    54   2.45000 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   49    48    54    57   0.00000  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
   37    30    35    36  10.50000 -1.0 2.0
   53    63    52    44   1.00000 -1.0 2.0
   52    65    63    64  10.50000 -1.0 2.0
   43    48    42    38   1.00000 -1.0 2.0
   42    54    48    49  10.50000 -1.0 2.0
END
