* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    144    230     425
    1     0 S   NP   _N1_     1    29.03041    94.61233   -19.13271
    2     1 S   H    _HN1     2     1.02960   101.32633    34.64677
    3     1 S   H    _H1_     3     1.02842    36.92387   138.03501
    4     1 S   H    _H2_     4     1.02783    75.55359   -71.55501
    5     1 S   CT   _CA1     5     1.50109   141.74084  -179.25585
    6     5 S   HC   _HA1     6     1.09563   105.30796    33.48329
    7     5 S   CO3  _C1_     7     1.53869   112.20541   -86.93959
    8     7 S   O2Z  _O11     8     1.26374   115.02799   -46.47416
    9     7 S   O2Z  _O12     9     1.26227   114.92572   132.72405
   10     5 S   CT   _CB1    10     1.53079   107.44203   151.54008
   11    10 S   HC   HB11    11     1.09818   109.60007   -48.86134
   12    10 S   HC   HB12    12     1.09840   110.30358    67.71570
   13    10 S   CT   _CG1    13     1.53059   112.65608  -169.94721
   14    13 S   HC   HG11    14     1.09515   110.43645   -56.14136
   15    13 S   HC   HG12    15     1.09606   110.25071    62.91689
   16    13 S   C    _CD1    16     1.51788   111.70172  -177.11547
   17    16 S   O    _OE1    17     1.22769   122.92246   -19.97453
   18    16 S   N    _N2_    18     1.38535   111.97969   160.87604
   19    18 S   H    _HN2    19     1.01586   119.19653     1.24270
   20    18 S   CT1  _CA2    20     1.46286   123.36746  -176.91143
   21    20 S   HC   _HA2    21     1.09735   109.30470   -15.47158
   22    20 S   C    _C2_    22     1.53408   108.59777  -131.19410
   23    22 S   O    _O2_    23     1.23009   122.26880  -148.28970
   24    20 S   CT   _CB2    32     1.53579   111.11696   106.50661
   25    24 S   HC   HB21    33     1.09318   109.22977    56.52126
   26    24 S   HC   HB22    34     1.09532   110.42948   174.33933
   27    22 S   N    _N3_    24     1.38528   113.39226    39.35483
   28    27 S   H    _HN3    25     1.01523   118.88034    -0.63827
   29    24 S   S    _SG2    35     1.83558   111.10999   -67.28499
   30    27 S   CT   _CA3    26     1.45437   123.40603   175.04477
   31    30 S   HC   HA31    27     1.09527   109.18128    25.43605
   32    30 S   HC   HA32    28     1.09494   107.13188   142.43397
   33    29 S   CT   _C17    36     1.90427   103.35326   142.81664
   34    30 S   CO3  _C3_    29     1.52926   113.17643   -98.00229
   35    34 S   O2Z  _O31    30     1.26399   115.43952   -43.53864
   36    34 S   O2Z  _O32    31     1.26361   114.96393   137.43032
   37    33 S   CM   _C7_    37     1.52186   106.10732    45.73959
   38    37 S   HC   _H25    38     1.08966   115.79650    51.57276
   39    33 S   CT   _C18    69     1.63137   110.31986   167.88485
   40    37 S   CMA  _C9_    39     1.35805   127.52404  -126.28527
   41    40 S   OM   _O18    40     1.26610   123.02421   177.90931
   42    40 S   OS   _O19    41     1.40275   117.28973    -0.81853
   43    42 S   CT   _C14    42     1.42637   118.44238   -18.13803
   44    43 S   HC   _H34    43     1.09163   108.84151   -76.31606
   45    43 S   HC   _H35    44     1.09609   106.46363   169.23321
   46    33 S   CT   _C16    45     1.55401   106.47190   -69.39882
   47    46 S   HC   _H37    46     1.09840   109.65131    41.12506
   48    46 S   CT   _C11    47     1.53479   115.24783   -77.93637
   49    48 S   HC   _H28    48     1.09674   110.56066  -133.36099
   50    48 S   HC   _H29    49     1.09674   108.73941   111.91896
   51    48 S   CT   _C13    50     1.52171   114.39494    -8.42970
   52    51 S   HC   _H32    51     1.09575   110.19824    80.03895
   53    51 S   HC   _H33    52     1.09754   109.16008  -165.86467
   54    51 S   NT   _N17    53     1.45062   113.54188   -42.99975
   55    54 S   CT   _C10    54     1.47883   113.35791   -67.04518
   56    55 S   HC   _H26    55     1.09408   114.21971    26.12386
   57    55 S   HC   _H27    56     1.09481   109.16374   -95.20755
   58    55 S   CM   _C6_    57     1.48643   105.41500   146.01425
   59    58 S   HC   _H24    58     1.08015   124.03100   165.10704
   60    58 S   CM   _C8_    59     1.33412   109.75748    -8.19041
   61    60 S   CM   _C4_    60     1.43840   125.42752   165.66784
   62    61 S   HC   _H22    61     1.08461   119.22964    29.23798
   63    61 S   CM   _C5_    62     1.34213   120.03022  -147.90703
   64    63 S   HC   _H23    63     1.08637   119.21986  -179.77015
   65    63 S   CT   _C15    64     1.51144   123.06937     1.06091
   66    65 S   HC   _H36    65     1.09529   107.90564  -110.94996
   67    65 S   CT   _C12    66     1.54613   112.14403    11.62834
   68    67 S   HC   _H30    67     1.10345   107.24377    77.75534
   69    67 S   HC   _H31    68     1.09510   110.76089  -170.77214
   70    65 S   OS   _O20    70     1.43384   107.05107   132.02752
   71    70 S   CT   _C19    71     1.42163   113.14818   156.52920
   72    71 S   HC   _H38    72     1.09341   108.16948  -178.51102
   73    71 S   HC   _H39    73     1.09317   111.04313    62.74254
   74    71 S   HC   _H40    74     1.09420   110.56805   -59.93350
  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  12   5   4   3
  24   2   1   1  12   5  24   6   2   6   8   4   3  10   4   7
   5   4   9   3   2  11   7   4   3   6   2   8   7   3   8   4
   9   5   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    43    46    47    48    54    60    67    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    42    43    44    45    46    47    48    49    50    51    54    55    58    60    61    65    67    68    69    39  
   35    36  
   36  
    0  
   38    40    41    42    43    46    47    48    54    60    67    39  
   40    41    42    46    39  
   70    40    43    46    47    48    51    52    53    54    55    56    57    58    59    60    61    62    63    65    66    67    68    69  
   41    42    43    44    45    46  
   42    43  
   43    44    45    46    47    48  
   44    45    46    47    48    49    50    51  
   45    46    47    48  
   46    47    48  
   47    48    49    50    51    52    53    54    60    67  
   48    49    50    51  
   49    50    51    52    53    54    55  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54    55    56    57    58    60    67  
   53    54    55  
   54    55  
   55    56    57    58    59    60    61    65    67    68    69  
   56    57    58    59    60    61    67  
   57    58    59    60  
   58    59    60  
   59    60    61    62    63    67  
   60    61  
   61    62    63    64    65    67    68    69  
   62    63    64    65    66    67    70  
   63    64    65  
   64    65    66    67    68    69    70    71  
   65    66    67    70  
   66    67    68    69    70    71    72    73    74  
   67    68    69    70    71  
   68    69    70    71  
   69    70  
   70  
   71    72    73    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    46   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   465.000  1.376
   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   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   382.000  1.448
   54    55   382.000  1.448
   54    39   382.000  1.448
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   317.000  1.510
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   380.000  1.444
   60    39   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   70    71   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    46    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   33    39    54    56.20000  109.47000
   33    39    60    70.00000  112.02700
   33    39    67    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    42    80.00000  120.01400
   40    37    38    40.00000  120.50800
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    46    50.00000  109.50000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    33    37    70.00000  112.02700
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    56.20000  109.47000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    54    55    51.80000  107.20000
   51    54    39    51.80000  107.20000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    58    75.00000  110.70900
   54    39    60    75.00000  110.70900
   54    39    67    56.20000  109.47000
   55    58    59    35.00000  117.00000
   55    58    60    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    70.00000  123.01800
   58    60    39    70.00000  124.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    39    67    70.00000  112.02700
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  109.50000
   63    65    67    70.00000  112.02700
   63    65    70    85.00000  110.90400
   65    63    64    35.00000  117.00000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    39    58.35000  112.70000
   65    70    71    60.00000  109.50000
   67    65    66    37.50000  110.70000
   69    67    68    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    46    58.35000  112.70000
   39    54    55    51.80000  107.20000
   39    60    61    70.00000  124.00000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   70    65    66    35.00000  109.50000
   70    65    67    50.00000  109.50000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   29    33    39    54   0.56750  1.0 1.0
   29    33    39    54  -0.07550 -1.0 2.0
   29    33    39    54   0.20000  1.0 3.0
   29    33    39    60   0.56750  1.0 1.0
   29    33    39    60  -0.07550 -1.0 2.0
   29    33    39    60   0.20000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.56750  1.0 1.0
   33    46    48    51  -0.07550 -1.0 2.0
   33    46    48    51   0.20000  1.0 3.0
   37    33    46    43   0.34400  1.0 1.0
   37    33    46    43   0.09450 -1.0 2.0
   37    33    46    43   0.11100  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    48   0.34400  1.0 1.0
   37    33    46    48   0.09450 -1.0 2.0
   37    33    46    48   0.11100  1.0 3.0
   37    33    39    54   0.59950  1.0 1.0
   37    33    39    54  -0.21400 -1.0 2.0
   37    33    39    54   0.56200  1.0 3.0
   37    33    39    60   0.31000  1.0 1.0
   37    33    39    60   0.14700 -1.0 2.0
   37    33    39    60   0.07550  1.0 3.0
   37    33    39    67   0.34400  1.0 1.0
   37    33    39    67   0.09450 -1.0 2.0
   37    33    39    67   0.11100  1.0 3.0
   37    40   -42    43  -2.26850  1.0 1.0
   37    40   -42    43   3.39050 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45   0.08050  1.0 3.0
   40    42    43    46  -0.46850  1.0 1.0
   40    42    43    46   0.09300 -1.0 2.0
   40    42    43    46  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -46    33   0.62750  1.0 1.0
   42    43   -46    33  -0.30950 -1.0 2.0
   42    43   -46    33   0.27300  1.0 3.0
   42    43    46    47   0.23400  1.0 3.0
   42    43    46    48   0.62750  1.0 1.0
   42    43    46    48  -0.30950 -1.0 2.0
   42    43    46    48   0.27300  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46    48    51   0.56750  1.0 1.0
   43    46    48    51  -0.07550 -1.0 2.0
   43    46    48    51   0.20000  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   45    43    46    33   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    40   0.09850  1.0 1.0
   46    33   -37    40   0.15250 -1.0 2.0
   46    33   -37    40  -0.50650  1.0 3.0
   46    33    39    54   1.53400  1.0 1.0
   46    33    39    54  -0.09950 -1.0 2.0
   46    33    39    54   0.05700  1.0 3.0
   46    33    39    60   0.34400  1.0 1.0
   46    33    39    60   0.09450 -1.0 2.0
   46    33    39    60   0.11100  1.0 3.0
   46    33    39    67   0.56750  1.0 1.0
   46    33    39    67  -0.07550 -1.0 2.0
   46    33    39    67   0.20000  1.0 3.0
   46    48    51    52   0.15000  1.0 3.0
   46    48    51    53   0.15000  1.0 3.0
   46    48   -51    54   1.53400  1.0 1.0
   46    48   -51    54  -0.09950 -1.0 2.0
   46    48   -51    54   0.05700  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    54    55   0.23450  1.0 1.0
   48    51    54    55   0.02050 -1.0 2.0
   48    51    54    55   0.25250  1.0 3.0
   48    51    54    39   0.23450  1.0 1.0
   48    51    54    39   0.02050 -1.0 2.0
   48    51    54    39   0.25250  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    48    51    52   0.15000  1.0 3.0
   50    48    51    53   0.15000  1.0 3.0
   50    48    51    54   0.15000  1.0 3.0
   51    54    55    56   0.28000  1.0 3.0
   51    54    55    57   0.28000  1.0 3.0
   51    54    55    58  -0.60800  1.0 1.0
   51    54    55    58   1.10050 -1.0 2.0
   51    54    55    58   0.47000  1.0 3.0
   51    54   -39    33   0.23450  1.0 1.0
   51    54   -39    33   0.02050 -1.0 2.0
   51    54   -39    33   0.25250  1.0 3.0
   51    54    39    60  -0.60800  1.0 1.0
   51    54    39    60   1.10050 -1.0 2.0
   51    54    39    60   0.47000  1.0 3.0
   51    54    39    67   0.23450  1.0 1.0
   51    54    39    67   0.02050 -1.0 2.0
   51    54    39    67   0.25250  1.0 3.0
   52    51    54    55   0.28000  1.0 3.0
   52    51    54    39   0.28000  1.0 3.0
   53    51    54    55   0.28000  1.0 3.0
   53    51    54    39   0.28000  1.0 3.0
   54    55    58    59   0.00000  1.0 1.0
   54    55   -58    60   0.90200  1.0 1.0
   54    55   -58    60   0.57900 -1.0 2.0
   54    55   -58    60  -0.62100  1.0 3.0
   55    54    39    33   0.23450  1.0 1.0
   55    54    39    33   0.02050 -1.0 2.0
   55    54    39    33   0.25250  1.0 3.0
   55    54   -39    60  -0.60800  1.0 1.0
   55    54   -39    60   1.10050 -1.0 2.0
   55    54   -39    60   0.47000  1.0 3.0
   55    54    39    67   0.23450  1.0 1.0
   55    54    39    67   0.02050 -1.0 2.0
   55    54    39    67   0.25250  1.0 3.0
   55    58    60    61   7.00000 -1.0 2.0
   55    58   -60    39   7.00000 -1.0 2.0
   56    55    58    59   0.33100  1.0 3.0
   56    55    58    60   0.00000  1.0 1.0
   57    55    58    59   0.33100  1.0 3.0
   57    55    58    60   0.00000  1.0 1.0
   58    60    61    62  -0.18600  1.0 3.0
   58    60    61    63   0.28850  1.0 1.0
   58    60    61    63   2.61350 -1.0 2.0
   58    60    61    63   0.78400  1.0 3.0
   58    60    39    33   0.09850  1.0 1.0
   58    60    39    33   0.15250 -1.0 2.0
   58    60    39    33  -0.50650  1.0 3.0
   58    60   -39    54   0.90200  1.0 1.0
   58    60   -39    54   0.57900 -1.0 2.0
   58    60   -39    54  -0.62100  1.0 3.0
   58    60    39    67   0.09850  1.0 1.0
   58    60    39    67   0.15250 -1.0 2.0
   58    60    39    67  -0.50650  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    39   7.00000 -1.0 2.0
   60    61    63    64   7.00000 -1.0 2.0
   60    61    63    65   7.00000 -1.0 2.0
   61    60    39    33   0.98200  1.0 1.0
   61    60    39    33  -0.11900 -1.0 2.0
   61    60    39    33   0.24250  1.0 3.0
   61    60    39    54   0.90200  1.0 1.0
   61    60    39    54   0.57900 -1.0 2.0
   61    60    39    54  -0.62100  1.0 3.0
   61    60    39    67   0.98200  1.0 1.0
   61    60    39    67  -0.11900 -1.0 2.0
   61    60    39    67   0.24250  1.0 3.0
   61    63    65    66   0.00000  1.0 1.0
   61    63   -65    67   0.09850  1.0 1.0
   61    63   -65    67   0.15250 -1.0 2.0
   61    63   -65    67  -0.50650  1.0 3.0
   61    63    65    70   0.39000  1.0 1.0
   61    63    65    70  -0.05800 -1.0 2.0
   61    63    65    70  -0.55150  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    67    68   0.15000  1.0 3.0
   63    65    67    69   0.15000  1.0 3.0
   63    65    67    39   0.34400  1.0 1.0
   63    65    67    39   0.09450 -1.0 2.0
   63    65    67    39   0.11100  1.0 3.0
   63    65    70    71  -0.77900  1.0 1.0
   63    65    70    71  -0.36900 -1.0 2.0
   63    65    70    71   0.40400  1.0 3.0
   64    63    65    66   0.33100  1.0 3.0
   64    63    65    67   0.00000  1.0 1.0
   64    63    65    70   0.00000  1.0 1.0
   65    67    39    33   0.56750  1.0 1.0
   65    67    39    33  -0.07550 -1.0 2.0
   65    67    39    33   0.20000  1.0 3.0
   65    67    39    54   1.53400  1.0 1.0
   65    67    39    54  -0.09950 -1.0 2.0
   65    67    39    54   0.05700  1.0 3.0
   65    67   -39    60   0.34400  1.0 1.0
   65    67   -39    60   0.09450 -1.0 2.0
   65    67   -39    60   0.11100  1.0 3.0
   65    70    71    72   0.37050  1.0 3.0
   65    70    71    73   0.37050  1.0 3.0
   65    70    71    74   0.37050  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    39   0.15000  1.0 3.0
   66    65    70    71   0.37050  1.0 3.0
   67    65    70    71   0.06250  1.0 1.0
   67    65    70    71  -0.01100 -1.0 2.0
   67    65    70    71   0.28050  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    54   0.15000  1.0 3.0
   68    67    39    60   0.15000  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    54   0.15000  1.0 3.0
   69    67    39    60   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09850  1.0 1.0
   39    33    37    40   0.15250 -1.0 2.0
   39    33    37    40  -0.50650  1.0 3.0
   39    33    46    43   0.56750  1.0 1.0
   39    33    46    43  -0.07550 -1.0 2.0
   39    33    46    43   0.20000  1.0 3.0
   39    33    46    47   0.15000  1.0 3.0
   39    33   -46    48   0.56750  1.0 1.0
   39    33   -46    48  -0.07550 -1.0 2.0
   39    33   -46    48   0.20000  1.0 3.0
   39    54    55    56   0.28000  1.0 3.0
   39    54    55    57   0.28000  1.0 3.0
   39    54   -55    58  -0.60800  1.0 1.0
   39    54   -55    58   1.10050 -1.0 2.0
   39    54   -55    58   0.47000  1.0 3.0
   39    60    61    62   0.00000  1.0 1.0
   39    60   -61    63  -0.18600  1.0 3.0
   70    65    67    68   0.23400  1.0 3.0
   70    65    67    69   0.23400  1.0 3.0
   70    65    67    39   0.62750  1.0 1.0
   70    65    67    39  -0.30950 -1.0 2.0
   70    65    67    39   0.27300  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   55    59    58    60   1.10000 -1.0 2.0
   61    39    60    58   1.10000 -1.0 2.0
   60    62    61    63   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
END
