* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    142    217     409
    1     0 S   NP   _N1_     1    28.91893    93.31412   -21.71010
    2     1 S   H    _HN1     2     1.02946    90.08762    18.95996
    3     1 S   H    _H1_     3     1.02834    25.38554   151.95168
    4     1 S   H    _H2_     4     1.02787    96.55317   -89.51354
    5     1 S   CT   _CA1     5     1.50162   135.65269   139.06226
    6     5 S   HC   _HA1     6     1.09577   105.12492    65.21527
    7     5 S   CO3  _C1_     7     1.53738   112.40865   -54.80727
    8     7 S   O2Z  _O11     8     1.26416   115.08182   -41.93167
    9     7 S   O2Z  _O12     9     1.26194   114.96462   137.05551
   10     5 S   CT   _CB1    10     1.53093   107.38217  -176.94738
   11    10 S   HC   HB11    11     1.09826   109.19576   -49.45421
   12    10 S   HC   HB12    12     1.09817   110.47100    67.08907
   13    10 S   CT   _CG1    13     1.53033   112.78765  -170.52365
   14    13 S   HC   HG11    14     1.09567   110.46135   -66.77894
   15    13 S   HC   HG12    15     1.09664   109.94125    52.41474
   16    13 S   C    _CD1    16     1.51915   112.27502   172.54918
   17    16 S   O    _OE1    17     1.22736   123.25066     0.27976
   18    16 S   N    _N2_    18     1.38625   111.70937  -179.40291
   19    18 S   H    _HN2    19     1.01595   118.91836     0.51282
   20    18 S   CT1  _CA2    20     1.46404   123.50264   178.64781
   21    20 S   HC   _HA2    21     1.09739   109.36662    -8.26971
   22    20 S   C    _C2_    22     1.53400   108.31133  -123.69394
   23    22 S   O    _O2_    23     1.23026   122.42601  -147.72570
   24    20 S   CT   _CB2    32     1.53377   111.35881   113.92021
   25    24 S   HC   HB21    33     1.09551   109.45194    54.72081
   26    24 S   HC   HB22    34     1.09487   111.02306   173.49485
   27    22 S   N    _N3_    24     1.38383   113.44486    39.81464
   28    27 S   H    _HN3    25     1.01639   119.48116    -3.70010
   29    24 S   S    _SG2    35     1.82595   110.98755   -67.04915
   30    27 S   CT   _CA3    26     1.45286   123.14807   176.92559
   31    30 S   HC   HA31    27     1.09552   107.54674   -63.34818
   32    30 S   HC   HA32    28     1.09558   107.92447    53.05882
   33    29 S   CT   _C18    36     1.82238    99.66424   148.45676
   34    33 S   HC   _H3_    37     1.09428   110.64830   -33.55761
   35    33 S   HC   _H4_    38     1.09418   107.76594    83.20053
   36    30 S   CO3  _C3_    29     1.52938   114.12757   175.02949
   37    36 S   O2Z  _O31    30     1.26368   116.05468    -0.60941
   38    36 S   O2Z  _O32    31     1.26429   114.41395   179.44398
   39    33 S   CM   _C6_    39     1.50276   110.08921  -154.04299
   40    39 S   CMA  _C7_    40     1.35037   127.29729  -116.43911
   41    40 S   OM   _O16    41     1.26299   127.94419    -0.14127
   42    40 S   OS   _O17    42     1.42017   109.85866   178.17608
   43    42 S   CT   _C13    43     1.44069   106.61228    15.80296
   44    43 S   HC   _H30    44     1.09718   106.38623    94.31458
   45    43 S   CT   _C8_    45     1.54062   108.61852  -145.69818
   46    45 S   HC   _H22    46     1.08878   109.60906   132.31823
   47    45 S   HC   _H23    47     1.09805   110.35595    17.12037
   48    39 S   CT   _C12    62     1.50041   121.31883    62.74219
   49    48 S   HC   _H29    63     1.09782   108.67498   -76.00018
   50    45 S   CM   _C5_    48     1.51624   112.65970  -103.94745
   51    50 S   CM   _C4_    49     1.35072   125.89973  -107.41361
   52    51 S   HC   _H21    50     1.09091   116.71669   177.61739
   53    50 S   CT   _C16    71     1.50954   114.39458    71.84220
   54    53 S   HC   _H32    72     1.09446   110.64857   -62.32381
   55    53 S   HC   _H33    73     1.09518   112.42237   177.51620
   56    53 S   HC   _H34    74     1.09499   110.19713    57.75090
   57    51 S   CT   _C11    51     1.51041   131.25774    -2.00115
   58    57 S   HC   _H28    52     1.09760   106.35386  -145.95632
   59    57 S   CT   _C9_    53     1.54018   114.65908    95.95862
   60    59 S   HC   _H24    54     1.09754   108.74272    69.22051
   61    59 S   HC   _H25    55     1.09732   108.99055  -175.59140
   62    57 S   OH   _O19    69     1.42087   112.08633   -32.37383
   63    62 S   HO   _H40    70     0.97573   108.36272   176.07255
   64    59 S   C3T  _C15    56     1.51536   114.75029   -52.89935
   65    64 S   C3T  _C14    57     1.52777   118.68601   -65.63191
   66    65 S   HC   _H31    58     1.08215   119.88201     2.58846
   67    64 S   CT   _C17    65     1.50313   116.06576    98.94014
   68    67 S   HC   _H35    66     1.09330   112.83804   169.39104
   69    67 S   HC   _H36    67     1.09557   110.16806    50.23826
   70    67 S   HC   _H37    68     1.09266   111.18647   -69.16888
   71    65 S   CT   _C10    59     1.49564   124.19706   158.61469
   72    71 S   HC   _H26    60     1.09704   107.08286   138.69112
   73    71 S   HC   _H27    61     1.09497   112.01427    23.20615
   74    64 S   O3T  _O18    64     1.44186   113.61190  -130.22378
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  13   7  13   5   4   9
   4  10  13   5   4   2   1   1  10   6  13   6   5   2   1  10
   9   5   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    65    71    72    73    48    49  
   41    42    43    44    45    71    48    49  
   42    43    48  
   43    44    45    46    47    50    71    48    49  
   44    45    46    47    50    51    65    71    72    73    48    49    53  
   45    46    47    50    71    48    49  
   46    47    50    51    52    57    71    48    49    53    54    55    56  
   47    50    51    48    53  
   50    51    48    53  
   49    74    50    64    65    66    71    72    73  
   65    71    72    73  
   51    52    57    58    59    62    53    54    55    56  
   52    57    58    59    60    61    64    62    63    53    54    55    56  
   57    58    59    62    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    64    65    74    67    62    63  
   59    60    61    64    62    63  
   60    61    64    65    66    71    74    67    68    69    70    62    63  
   61    64    65    74    67    62  
   64    65    74    67    62  
   63    64  
    0  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    74    67    68    69    70  
   71    72    73    74    67  
   68    69    70    71    74  
   69    70    74  
   70    74  
   74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    48   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   275.000  1.510
   64    65   260.000  1.509
   64    74   335.000  1.432
   64    67   275.000  1.510
   65    66   340.000  1.088
   65    71   275.000  1.510
   65    74   335.000  1.432
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    48   268.000  1.529
   48    49   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   62    63   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    48    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    48    43    70.00000  112.02700
   39    48    71    70.00000  112.02700
   39    48    49    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    48    71    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    70.00000  124.00000
   45    50    53    65.00000  117.92700
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    70.00000  112.02700
   51    57    62    90.00000  110.39200
   57    51    52    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    64    70.00000  112.37300
   57    62    63    55.00000  108.50000
   59    57    58    37.50000  110.70000
   59    64    65    60.00000  120.94000
   59    64    74    80.00000  116.47100
   59    64    67    58.35000  112.70000
   61    59    60    33.00000  107.80000
   64    59    60    45.00000  109.38400
   64    59    61    45.00000  109.38400
   64    65    66    37.50000  117.20000
   64    65    71    60.00000  120.94000
   64    65    74    15.00000   60.43100
   64    74    65    15.00000   59.14900
   64    67    68    45.00000  109.38400
   64    67    69    45.00000  109.38400
   64    67    70    45.00000  109.38400
   65    71    72    45.00000  109.38400
   65    71    73    45.00000  109.38400
   65    71    48    70.00000  112.37300
   71    65    66    40.00000  115.04500
   71    48    49    37.50000  110.70000
   73    71    72    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    71    72    37.50000  110.70000
   48    71    73    37.50000  110.70000
   74    64    65    15.00000   60.43100
   74    65    66    50.00000  114.27700
   74    65    71    80.00000  116.47100
   67    64    65    60.00000  120.94000
   67    64    74    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    50.00000  109.50000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    71   0.46850  1.0 1.0
   33    39    48    71   0.08550 -1.0 2.0
   33    39    48    71   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    71   0.09850  1.0 1.0
   40    39    48    71   0.15250 -1.0 2.0
   40    39    48    71  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50   0.61850  1.0 1.0
   42    43    45    50  -0.22750 -1.0 2.0
   42    43    45    50   0.15300  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    71   0.62750  1.0 1.0
   42    43    48    71  -0.30950 -1.0 2.0
   42    43    48    71   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.09850  1.0 1.0
   43    45    50    51   0.15250 -1.0 2.0
   43    45    50    51  -0.50650  1.0 3.0
   43    45    50    53   0.46850  1.0 1.0
   43    45    50    53   0.08550 -1.0 2.0
   43    45    50    53   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    71   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    71   0.56750  1.0 1.0
   45    43    48    71  -0.07550 -1.0 2.0
   45    43    48    71   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   7.00000 -1.0 2.0
   45    50    51    57   7.00000 -1.0 2.0
   45    50    53    54   0.34800  1.0 3.0
   45    50    53    55   0.34800  1.0 3.0
   45    50    53    56   0.34800  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    53   0.34800  1.0 3.0
   47    45    50    51   0.00000  1.0 1.0
   47    45    50    53   0.34800  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.09850  1.0 1.0
   50    51    57    59   0.15250 -1.0 2.0
   50    51    57    59  -0.50650  1.0 3.0
   50    51    57    62   0.67800  1.0 1.0
   50    51    57    62   0.47050 -1.0 2.0
   50    51    57    62  -0.62500  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    59    60   0.15000  1.0 3.0
   51    57    59    61   0.15000  1.0 3.0
   51    57    59    64   0.34400  1.0 1.0
   51    57    59    64   0.09450 -1.0 2.0
   51    57    59    64   0.11100  1.0 3.0
   51    57    62    63  -0.07800  1.0 1.0
   51    57    62    63  -0.21500 -1.0 2.0
   51    57    62    63  -0.03150  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    57    62   0.00000  1.0 1.0
   57    59    64    65   0.07850  1.0 1.0
   57    59    64    65  -0.03950 -1.0 2.0
   57    59    64    65   0.67350  1.0 3.0
   57    59    64    74   0.02550  1.0 1.0
   57    59    64    74  -0.02600 -1.0 2.0
   57    59    64    74   1.20400  1.0 3.0
   57    59    64    67   0.56750  1.0 1.0
   57    59    64    67  -0.07550 -1.0 2.0
   57    59    64    67   0.20000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   59    57    62    63  -0.11600  1.0 1.0
   59    57    62    63  -0.09450 -1.0 2.0
   59    57    62    63   0.21250  1.0 3.0
   59    64    65    66   0.15000  1.0 3.0
   59    64    65    71   0.56750  1.0 1.0
   59    64    65    71  -0.07550 -1.0 2.0
   59    64    65    71   0.20000  1.0 3.0
   59    64   -65    74   0.02550  1.0 1.0
   59    64   -65    74  -0.02600 -1.0 2.0
   59    64   -65    74   1.20400  1.0 3.0
   59    64   -74    65   0.06250  1.0 1.0
   59    64   -74    65  -0.01100 -1.0 2.0
   59    64   -74    65   0.28050  1.0 3.0
   59    64    67    68   0.15000  1.0 3.0
   59    64    67    69   0.15000  1.0 3.0
   59    64    67    70   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    74   0.23400  1.0 3.0
   60    59    64    67   0.15000  1.0 3.0
   61    59    64    65   0.15000  1.0 3.0
   61    59    64    74   0.23400  1.0 3.0
   61    59    64    67   0.15000  1.0 3.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    73   0.15000  1.0 3.0
   64    65    71    48   0.07850  1.0 1.0
   64    65    71    48  -0.03950 -1.0 2.0
   64    65    71    48   0.67350  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    48    39   0.34400  1.0 1.0
   65    71    48    39   0.09450 -1.0 2.0
   65    71    48    39   0.11100  1.0 3.0
   65    71    48    43   0.47050  1.0 1.0
   65    71    48    43   0.03900 -1.0 2.0
   65    71    48    43   0.20100  1.0 3.0
   65    71    48    49   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    48   0.15000  1.0 3.0
   66    65   -74    64   0.36800  1.0 3.0
   71    65   -74    64   0.06250  1.0 1.0
   71    65   -74    64  -0.01100 -1.0 2.0
   71    65   -74    64   0.28050  1.0 3.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    43   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   73    71    48    39   0.15000  1.0 3.0
   73    71    48    43   0.15000  1.0 3.0
   73    71    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.34400  1.0 1.0
   48    43    45    50   0.09450 -1.0 2.0
   48    43    45    50   0.11100  1.0 3.0
   74    64   -65    66   0.23400  1.0 3.0
   74    64   -65    71   0.02550  1.0 1.0
   74    64   -65    71  -0.02600 -1.0 2.0
   74    64   -65    71   1.20400  1.0 3.0
   74    64    67    68   0.23400  1.0 3.0
   74    64    67    69   0.23400  1.0 3.0
   74    64    67    70   0.23400  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    48   0.02550  1.0 1.0
   74    65    71    48  -0.02600 -1.0 2.0
   74    65    71    48   1.20400  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.56750  1.0 1.0
   67    64    65    71  -0.07550 -1.0 2.0
   67    64    65    71   0.20000  1.0 3.0
   67    64   -65    74   0.02550  1.0 1.0
   67    64   -65    74  -0.02600 -1.0 2.0
   67    64   -65    74   1.20400  1.0 3.0
   67    64   -74    65   0.06250  1.0 1.0
   67    64   -74    65  -0.01100 -1.0 2.0
   67    64   -74    65   0.28050  1.0 3.0
   62    57    59    60   0.23400  1.0 3.0
   62    57    59    61   0.23400  1.0 3.0
   62    57    59    64   0.86500  1.0 1.0
   62    57    59    64  -0.17500 -1.0 2.0
   62    57    59    64   0.20800  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
END
