* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    131    192     382
    1     0 S   NP   _N1_     1    28.92567    94.16247   -19.88396
    2     1 S   H    _HN1     2     1.02838    33.57340   138.49081
    3     1 S   H    _H1_     3     1.02778    81.12608   -78.63063
    4     1 S   H    _H2_     4     1.02961    97.50035    28.86004
    5     1 S   CT   _CA1     5     1.50123   141.90198   166.40904
    6     5 S   HC   _HA1     6     1.09564   105.27391    43.15869
    7     5 S   CO3  _C1_     7     1.53857   112.29793   -77.19906
    8     7 S   O2Z  _O11     8     1.26373   115.00357   -43.80766
    9     7 S   O2Z  _O12     9     1.26233   114.94052   135.37731
   10     5 S   CT   _CB1    10     1.53090   107.43863   161.22674
   11    10 S   HC   HB11    11     1.09819   109.56992   -48.86940
   12    10 S   HC   HB12    12     1.09833   110.30242    67.74355
   13    10 S   CT   _CG1    13     1.53019   112.64594  -169.94163
   14    13 S   HC   HG11    14     1.09539   110.36857   -58.68576
   15    13 S   HC   HG12    15     1.09620   110.17163    60.46024
   16    13 S   C    _CD1    16     1.51802   112.07344  -179.28591
   17    16 S   O    _OE1    17     1.22737   123.15042   -12.27833
   18    16 S   N    _N2_    18     1.38590   111.74195   168.13934
   19    18 S   H    _HN2    19     1.01591   119.04378     1.81294
   20    18 S   CT1  _CA2    20     1.46308   123.41133  -176.42741
   21    20 S   HC   _HA2    21     1.09729   109.37260   -15.39978
   22    20 S   C    _C2_    22     1.53372   108.49777  -131.27040
   23    22 S   O    _O2_    23     1.23012   122.23909  -146.61590
   24    20 S   CT   _CB2    32     1.53543   111.02595   106.63202
   25    24 S   HC   HB21    33     1.09476   109.09818    55.11360
   26    24 S   HC   HB22    34     1.09471   110.79222   173.67696
   27    22 S   N    _N3_    24     1.38510   113.34299    40.85537
   28    27 S   H    _HN3    25     1.01532   118.88993    -0.63180
   29    24 S   S    _SG2    35     1.82892   111.32685   -66.93706
   30    27 S   CT   _CA3    26     1.45449   123.45024   175.05078
   31    30 S   HC   HA31    27     1.09523   109.22627    24.42993
   32    30 S   HC   HA32    28     1.09494   107.11893   141.43833
   33    29 S   CT   _C13    36     1.84715   100.90515   143.93649
   34    33 S   HC   _H4_    37     1.09041   103.17435   -36.56305
   35    30 S   CO3  _C3_    29     1.52930   113.14913   -99.03922
   36    35 S   O2Z  _O31    30     1.26401   115.42647   -43.71789
   37    35 S   O2Z  _O32    31     1.26358   114.96958   137.22686
   38    33 S   CM   _C6_    38     1.54278   109.91515  -151.05605
   39    33 S   CT   _C14    63     1.53660   113.46889    80.38178
   40    39 S   HC   _H19    64     1.09721   110.79532   160.34703
   41    39 S   HC   _H20    65     1.09381   111.95335    41.27909
   42    38 S   CM   _C5_    39     1.36177   124.71454   -62.15705
   43    39 S   CO4  _C15    66     1.51917   113.03033   -81.09860
   44    43 S   O    _O34    67     1.23065   122.06297   -46.34441
   45    42 S   CT   _C10    40     1.51623   122.86022   175.79499
   46    45 S   HC   _H10    41     1.09851   108.67089   108.88950
   47    45 S   HC   _H11    42     1.09809   109.94490  -136.06635
   48    42 S   CT   _C4_    59     1.50985   126.45027    -3.38292
   49    48 S   HC   _H5_    60     1.08702   114.97562    -1.78147
   50    48 S   HC   _H6_    61     1.09565   109.76802  -122.20057
   51    48 S   HC   _H7_    62     1.09564   110.00043   118.89476
   52    43 S   CT   _C16    68     1.50580   116.79608   135.88535
   53    52 S   HC   _H21    69     1.09266   109.54156    61.32595
   54    52 S   HC   _H22    70     1.09283   109.59983   -59.78616
   55    52 S   HC   _H23    71     1.09350   109.70557  -179.06163
   56    45 S   CT   _C9_    43     1.52101   114.70289   -14.62244
   57    56 S   HC   _H3_    44     1.09556   110.89802   -76.22305
   58    56 S   CT   _C8_    45     1.51568   109.22220    46.09923
   59    58 S   HC   _H8_    46     1.10023   108.59045    61.17141
   60    58 S   HC   _H9_    47     1.09847   109.66586   175.08116
   61    56 S   OH   _O33    57     1.42474   109.56219   165.09965
   62    61 S   HO   _H12    58     0.97244   107.41741    61.38791
   63    38 S   CT   _C7_    48     1.55969   114.44606   117.39612
   64    63 S   CT   _C11    49     1.54530   109.28808   -69.34181
   65    64 S   HC   _H13    50     1.09613   111.14820  -174.22810
   66    64 S   HC   _H14    51     1.09531   112.01004    66.42298
   67    64 S   HC   _H15    52     1.09546   111.68015   -53.92200
   68    63 S   CT   _C12    53     1.54838   111.94687    51.28445
   69    68 S   HC   _H16    54     1.09684   110.86879   171.79371
   70    68 S   HC   _H17    55     1.09617   111.10015    52.19694
   71    68 S   HC   _H18    56     1.09415   112.94236   -69.04125
  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
  15   7   2   1   1  25  10   4   3  14   5   4  14   6   5   5
   2   1   1   3   2   1   1   9   6  13   5   4   2   1   8   7
   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    63    39    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    45    58    63    64    68    48    39    40    41    43    44    52  
   38    42    63    39    40    41    43  
   36    37  
   37  
    0  
   42    45    46    47    56    58    59    60    63    64    65    66    67    68    69    70    71    48    49    50    51    39    40    41    43  
   40    41    43    44    52    53    54    55    42    63  
   41    43    44    52  
   43    44    52  
   45    46    47    56    57    58    63    64    68    61    48    49    50    51  
   44    52    53    54    55  
   52    53    54    55  
   46    47    56    57    58    59    60    63    61    62    48    49    50    51  
   47    56    57    58    61    48  
   56    57    58    61    48  
   49    50    51    56    63  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    63    64    68    61    62  
   58    59    60    63    61    62  
   59    60    63    64    65    66    67    68    69    70    71    61    62  
   60    63    64    68    61  
   63    64    68    61  
   62    63  
    0  
   64    65    66    67    68    69    70    71  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   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   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    63   317.000  1.510
   42    45   317.000  1.510
   42    48   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   268.000  1.529
   63    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   61    62   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   317.000  1.522
   43    44   570.000  1.229
   43    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    63    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    45    70.00000  124.00000
   38    42    48    70.00000  124.00000
   38    63    58    70.00000  112.02700
   38    63    64    70.00000  112.02700
   38    63    68    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    56    70.00000  112.02700
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    51    35.00000  109.50000
   45    56    57    37.50000  110.70000
   45    56    58    58.35000  112.70000
   45    56    61    50.00000  109.50000
   47    45    46    33.00000  107.80000
   56    45    46    37.50000  110.70000
   56    45    47    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    58.35000  112.70000
   56    61    62    55.00000  108.50000
   58    56    57    37.50000  110.70000
   58    63    64    58.35000  112.70000
   58    63    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   63    38    42    70.00000  124.00000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    66    37.50000  110.70000
   63    64    67    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    63    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    50.00000  109.50000
   48    42    45    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    43    44    80.00000  120.40000
   39    43    52    70.00000  116.00000
   41    39    40    33.00000  107.80000
   43    39    40    35.00000  109.50000
   43    39    41    35.00000  109.50000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   52    43    44    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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  -0.62250  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    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    63   0.30250  1.0 1.0
   29    33    38    63  -0.14950 -1.0 2.0
   29    33    38    63   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    42    45   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    38    63    58   0.46850  1.0 1.0
   33    38    63    58   0.08550 -1.0 2.0
   33    38    63    58   0.09800  1.0 3.0
   33    38    63    64   0.46850  1.0 1.0
   33    38    63    64   0.08550 -1.0 2.0
   33    38    63    64   0.09800  1.0 3.0
   33    38    63    68   0.46850  1.0 1.0
   33    38    63    68   0.08550 -1.0 2.0
   33    38    63    68   0.09800  1.0 3.0
   33    39    43    44   0.30150 -1.0 2.0
   33    39    43    52   0.60050  1.0 1.0
   33    39    43    52   0.05600 -1.0 2.0
   33    39    43    52   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    63   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    43  -0.11250  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    43  -0.98800  1.0 1.0
   38    33    39    43   0.48800 -1.0 2.0
   38    33    39    43   0.76800  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    47   0.00000  1.0 1.0
   38    42    45    56   0.09850  1.0 1.0
   38    42    45    56   0.15250 -1.0 2.0
   38    42    45    56  -0.50650  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    51   0.00000  1.0 1.0
   38    63    64    65   0.15000  1.0 3.0
   38    63    64    66   0.15000  1.0 3.0
   38    63    64    67   0.15000  1.0 3.0
   38    63    68    69   0.15000  1.0 3.0
   38    63    68    70   0.15000  1.0 3.0
   38    63    68    71   0.15000  1.0 3.0
   42    38    63    58   0.09850  1.0 1.0
   42    38    63    58   0.15250 -1.0 2.0
   42    38    63    58  -0.50650  1.0 3.0
   42    38    63    64   0.09850  1.0 1.0
   42    38    63    64   0.15250 -1.0 2.0
   42    38    63    64  -0.50650  1.0 3.0
   42    38    63    68   0.09850  1.0 1.0
   42    38    63    68   0.15250 -1.0 2.0
   42    38    63    68  -0.50650  1.0 3.0
   42    45    56    57   0.15000  1.0 3.0
   42    45   -56    58   0.34400  1.0 1.0
   42    45   -56    58   0.09450 -1.0 2.0
   42    45   -56    58   0.11100  1.0 3.0
   42    45    56    61   1.05650  1.0 1.0
   42    45    56    61   0.15600 -1.0 2.0
   42    45    56    61   0.53150  1.0 3.0
   45    42    48    49   0.34800  1.0 3.0
   45    42    48    50   0.34800  1.0 3.0
   45    42    48    51   0.34800  1.0 3.0
   45    56    58    59   0.15000  1.0 3.0
   45    56    58    60   0.15000  1.0 3.0
   45    56    58    63   0.56750  1.0 1.0
   45    56    58    63  -0.07550 -1.0 2.0
   45    56    58    63   0.20000  1.0 3.0
   45    56    61    62  -0.11600  1.0 1.0
   45    56    61    62  -0.09450 -1.0 2.0
   45    56    61    62   0.21250  1.0 3.0
   46    45    56    57   0.15000  1.0 3.0
   46    45    56    58   0.15000  1.0 3.0
   46    45    56    61   0.23400  1.0 3.0
   47    45    56    57   0.15000  1.0 3.0
   47    45    56    58   0.15000  1.0 3.0
   47    45    56    61   0.23400  1.0 3.0
   56    58   -63    38   0.34400  1.0 1.0
   56    58   -63    38   0.09450 -1.0 2.0
   56    58   -63    38   0.11100  1.0 3.0
   56    58    63    64   0.56750  1.0 1.0
   56    58    63    64  -0.07550 -1.0 2.0
   56    58    63    64   0.20000  1.0 3.0
   56    58    63    68   0.56750  1.0 1.0
   56    58    63    68  -0.07550 -1.0 2.0
   56    58    63    68   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62  -0.11600  1.0 1.0
   58    56    61    62  -0.09450 -1.0 2.0
   58    56    61    62   0.21250  1.0 3.0
   58    63    64    65   0.15000  1.0 3.0
   58    63    64    66   0.15000  1.0 3.0
   58    63    64    67   0.15000  1.0 3.0
   58    63    68    69   0.15000  1.0 3.0
   58    63    68    70   0.15000  1.0 3.0
   58    63    68    71   0.15000  1.0 3.0
   59    58    63    38   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    68   0.15000  1.0 3.0
   60    58    63    38   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    68   0.15000  1.0 3.0
   63    38   -42    45   7.00000 -1.0 2.0
   63    38    42    48   7.00000 -1.0 2.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   68    63    64    65   0.15000  1.0 3.0
   68    63    64    66   0.15000  1.0 3.0
   68    63    64    67   0.15000  1.0 3.0
   61    56    58    59   0.23400  1.0 3.0
   61    56    58    60   0.23400  1.0 3.0
   61    56    58    63   0.86500  1.0 1.0
   61    56    58    63  -0.17500 -1.0 2.0
   61    56    58    63   0.20800  1.0 3.0
   48    42    45    46   0.34800  1.0 3.0
   48    42    45    47   0.34800  1.0 3.0
   48    42    45    56   0.46850  1.0 1.0
   48    42    45    56   0.08550 -1.0 2.0
   48    42    45    56   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    63   0.46850  1.0 1.0
   39    33    38    63   0.08550 -1.0 2.0
   39    33    38    63   0.09800  1.0 3.0
   39    43    52    53   0.00000  1.0 1.0
   39    43    52    54   0.00000  1.0 1.0
   39    43    52    55   0.00000  1.0 1.0
   40    39    43    44   0.00000  1.0 1.0
   40    39    43    52   0.00000  1.0 1.0
   41    39    43    44   0.00000  1.0 1.0
   41    39    43    52   0.00000  1.0 1.0
   44    43    52    53   0.00000  1.0 1.0
   44    43    52    54   0.00000  1.0 1.0
   44    43    52    55   0.00000  1.0 1.0
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    63    38    42   1.10000 -1.0 2.0
   45    48    42    38   1.10000 -1.0 2.0
   39    52    43    44  10.50000 -1.0 2.0
END
