* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    223     417
    1     0 S   NP   _N1_     1    28.57815    94.68019   -22.38496
    2     1 S   H    _HN1     2     1.02961    86.99942    33.24789
    3     1 S   H    _H1_     3     1.02838    28.45026   168.69671
    4     1 S   H    _H2_     4     1.02779    96.29035   -74.86528
    5     1 S   CT   _CA1     5     1.50106   138.28453   151.03542
    6     5 S   HC   _HA1     6     1.09574   105.25488    68.04678
    7     5 S   CO3  _C1_     7     1.53798   112.37452   -52.21186
    8     7 S   O2Z  _O11     8     1.26357   115.00883   -44.57981
    9     7 S   O2Z  _O12     9     1.26239   114.91855   134.66709
   10     5 S   CT   _CB1    10     1.53101   107.44535  -174.02571
   11    10 S   HC   HB11    11     1.09823   109.38245   -50.85830
   12    10 S   HC   HB12    12     1.09822   110.39605    65.70163
   13    10 S   CT   _CG1    13     1.53007   112.64772  -171.96789
   14    13 S   HC   HG11    14     1.09601   110.41080   -62.66152
   15    13 S   HC   HG12    15     1.09647   110.02892    56.55777
   16    13 S   C    _CD1    16     1.51804   112.32152   176.94117
   17    16 S   O    _OE1    17     1.22716   123.26430    -4.02229
   18    16 S   N    _N2_    18     1.38624   111.60569   176.13654
   19    18 S   H    _HN2    19     1.01583   119.01887     1.56923
   20    18 S   CT1  _CA2    20     1.46223   123.41161  -178.99342
   21    20 S   HC   _HA2    21     1.09735   109.43328    -9.46124
   22    20 S   C    _C2_    22     1.53435   108.28785  -125.13563
   23    22 S   O    _O2_    23     1.23016   122.24599  -145.05059
   24    20 S   CT   _CB2    32     1.53551   111.40656   112.62654
   25    24 S   HC   HB21    33     1.09402   109.38467    56.09301
   26    24 S   HC   HB22    34     1.09450   109.84063   174.89673
   27    22 S   N    _N3_    24     1.38511   113.38851    42.23751
   28    27 S   H    _HN3    25     1.01519   118.93644    -0.51014
   29    24 S   S    _SG2    35     1.82976   111.32273   -65.68439
   30    27 S   CT   _CA3    26     1.45451   123.45008   175.20641
   31    30 S   HC   HA31    27     1.09522   109.25951    24.09493
   32    30 S   HC   HA32    28     1.09496   107.11814   141.09642
   33    29 S   CT   _C9_    36     1.86792   102.32149   166.93384
   34    30 S   CO3  _C3_    29     1.52920   113.08805   -99.39984
   35    34 S   O2Z  _O31    30     1.26404   115.38785   -45.00071
   36    34 S   O2Z  _O32    31     1.26353   114.99472   135.93095
   37    33 S   CT   _C8_    37     1.55924   108.34767   -63.02018
   38    37 S   HC   _H13    38     1.09840   109.00868    87.25507
   39    37 S   HC   _H14    39     1.09842   110.51450   -27.44278
   40    33 S   CT   _C10    59     1.55280   108.78370   173.81087
   41    40 S   HC   _H5_    60     1.10147   107.41913  -165.50690
   42    33 S   CT   _C18    69     1.54529   109.25194    55.03032
   43    42 S   HC   _H19    70     1.09416   112.64502    53.23650
   44    42 S   HC   _H20    71     1.09541   112.31057   -67.92301
   45    42 S   HC   _H21    72     1.09645   110.62165   173.47556
   46    37 S   CT   _C7_    40     1.54116   117.23905  -151.39821
   47    46 S   HC   _H11    41     1.09759   107.27579  -158.67559
   48    46 S   HC   _H12    42     1.09517   111.31514   -42.38395
   49    46 S   CT   _C6_    43     1.52557   111.21598    83.45689
   50    49 S   HC   _H4_    44     1.10214   107.90184    41.83257
   51    49 S   CT   _C5_    45     1.52564   118.05221   160.77191
   52    51 S   HC   _H3_    46     1.09558   109.64908   -82.63707
   53    51 S   CO4  _C13    47     1.51437   100.00254   162.74718
   54    53 S   O    _O34    48     1.22102   125.74673   163.88188
   55    51 S   CT   _C4_    65     1.52016   116.21186    43.37601
   56    55 S   HC   _H8_    66     1.09469   112.26873    56.36494
   57    55 S   HC   _H9_    67     1.09427   111.08082   -64.99344
   58    55 S   HC   _H10    68     1.09564   110.33108   175.58155
   59    53 S   OS   _O33    49     1.37425   109.77356   -16.31525
   60    49 S   CT   _C12    50     1.52013   115.54903   -79.23668
   61    60 S   HC   _H7_    51     1.09839   112.28025   -58.61951
   62    60 S   CT   _C11    52     1.53431   111.97598    65.03869
   63    62 S   HC   _H6_    53     1.09750   109.79281    47.78547
   64    62 S   CM   _C14    54     1.51426   116.15311   169.06787
   65    64 S   CM   _C15    55     1.33663   114.72794   129.64068
   66    65 S   HC   _H15    56     1.07630   128.64599   176.51361
   67    64 S   CT   _C17    61     1.49201   121.67640   -55.78799
   68    67 S   HC   _H16    62     1.09456   110.50374   -46.38881
   69    67 S   HC   _H17    63     1.09548   111.55443  -165.87043
   70    67 S   HC   _H18    64     1.09368   110.81260    74.48429
   71    65 S   CO4  _C16    57     1.46663   106.52102    -2.72850
   72    71 S   O    _O35    58     1.22143   122.09047   176.35750
  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  13   5   4   3
  20   2   1   1  17   7   6  18   8   6   2   1   1  12   5   4
  15   8  11   8   9   3   5   2   1   1   5   7   3  10   4   8
   7   3   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    62    71    40    41    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    49    60    62    63    64    65    71    72    40    41    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    49    50    51    60    62    71    40    41    42    43    44    45  
   39    46    47    48    49    40    42  
   46    47    48    49    40    42  
   41    67    42    43    44    45    46    49    59    60    61    62    63    64    65    66    71    72  
   42    60    62    63    64    65    71    72  
   43    44    45    46    62    71  
   44    45  
   45  
    0  
   47    48    49    50    51    52    53    59    60    61    62    55  
   48    49    50    51    60  
   49    50    51    60  
   50    51    52    53    54    59    60    61    62    63    64    55    56    57    58  
   51    52    53    59    60    61    62    55  
   52    53    54    59    60    61    62    55    56    57    58  
   53    54    59    60    55    56    57    58  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64  
   61    62    63    64    65    71    67  
   62    63    64  
   63    64    65    66    71    72    67    68    69    70  
   64    65    71    67  
   65    66    71    72    67    68    69    70  
   66    71    72    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    60   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.522
   51    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    40   268.000  1.529
   64    65   549.000  1.340
   64    67   317.000  1.510
   65    66   340.000  1.080
   65    71   320.000  1.462
   71    72   570.000  1.229
   71    40   317.000  1.522
   40    41   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    62    58.35000  112.70000
   33    40    71    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    49    58.35000  112.70000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    51    58.35000  112.70000
   46    49    60    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    51    52    37.50000  110.70000
   49    51    53    63.00000  111.10000
   49    51    55    58.35000  112.70000
   49    60    59    50.00000  109.50000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   51    49    50    37.50000  110.70000
   51    53    54    80.00000  120.40000
   51    53    59    81.00000  111.40000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   60    49    50    37.50000  110.70000
   60    49    51    58.35000  112.70000
   60    62    63    37.50000  110.70000
   60    62    64    70.00000  112.02700
   60    62    40    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    64    65    70.00000  124.00000
   62    64    67    65.00000  117.92700
   62    40    71    63.00000  111.10000
   62    40    41    37.50000  110.70000
   64    62    63    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    71    65.00000  118.96000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    80.00000  123.72100
   65    71    40    65.00000  118.62400
   71    65    66    40.00000  117.72500
   71    40    41    35.00000  109.50000
   40    33    37    58.35000  112.70000
   40    62    63    37.50000  110.70000
   40    62    64    70.00000  112.02700
   40    71    72    80.00000  120.40000
   67    64    65    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000  111.10000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    62   0.44750  1.0 1.0
   29    33    40    62  -0.17800 -1.0 2.0
   29    33    40    62   0.20200  1.0 3.0
   29    33    40    71   0.56750  1.0 1.0
   29    33    40    71  -0.07550 -1.0 2.0
   29    33    40    71   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    49   0.56750  1.0 1.0
   33    37    46    49  -0.07550 -1.0 2.0
   33    37    46    49   0.20000  1.0 3.0
   37    33    40    62   0.56750  1.0 1.0
   37    33    40    62  -0.07550 -1.0 2.0
   37    33    40    62   0.20000  1.0 3.0
   37    33    40    71  -0.95700  1.0 1.0
   37    33    40    71  -0.18200 -1.0 2.0
   37    33    40    71   0.29450  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    49    50   0.15000  1.0 3.0
   37    46    49    51   0.56750  1.0 1.0
   37    46    49    51  -0.07550 -1.0 2.0
   37    46    49    51   0.20000  1.0 3.0
   37    46    49    60   0.56750  1.0 1.0
   37    46    49    60  -0.07550 -1.0 2.0
   37    46    49    60   0.20000  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    49   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    49   0.15000  1.0 3.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53  -0.95700  1.0 1.0
   46    49    51    53  -0.18200 -1.0 2.0
   46    49    51    53   0.29450  1.0 3.0
   46    49    51    55   0.56750  1.0 1.0
   46    49    51    55  -0.07550 -1.0 2.0
   46    49    51    55   0.20000  1.0 3.0
   46    49    60    59   0.62750  1.0 1.0
   46    49    60    59  -0.30950 -1.0 2.0
   46    49    60    59   0.27300  1.0 3.0
   46    49    60    61   0.15000  1.0 3.0
   46    49    60    62   0.56750  1.0 1.0
   46    49    60    62  -0.07550 -1.0 2.0
   46    49    60    62   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    60   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    60   0.15000  1.0 3.0
   49    51    53    54   0.30150 -1.0 2.0
   49    51   -53    59   0.36750  1.0 3.0
   49    51    55    56   0.15000  1.0 3.0
   49    51    55    57   0.15000  1.0 3.0
   49    51    55    58   0.15000  1.0 3.0
   49    60    62    63   0.15000  1.0 3.0
   49    60    62    64   0.34400  1.0 1.0
   49    60    62    64   0.09450 -1.0 2.0
   49    60    62    64   0.11100  1.0 3.0
   49    60    62    40   0.56750  1.0 1.0
   49    60    62    40  -0.07550 -1.0 2.0
   49    60    62    40   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53  -0.11250  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    60    59   0.23400  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   51    49   -60    59   0.62750  1.0 1.0
   51    49   -60    59  -0.30950 -1.0 2.0
   51    49   -60    59   0.27300  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.56750  1.0 1.0
   51    49    60    62  -0.07550 -1.0 2.0
   51    49    60    62   0.20000  1.0 3.0
   51    53   -59    60   1.63150  1.0 1.0
   51    53   -59    60   2.92000 -1.0 2.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    59   0.00000  1.0 1.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56  -0.11250  1.0 3.0
   53    51    55    57  -0.11250  1.0 3.0
   53    51    55    58  -0.11250  1.0 3.0
   53    59   -60    49  -0.25900  1.0 1.0
   53    59   -60    49  -0.47000 -1.0 2.0
   53    59   -60    49   0.11750  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.61850  1.0 1.0
   59    60    62    64  -0.22750 -1.0 2.0
   59    60    62    64   0.15300  1.0 3.0
   59    60    62    40   0.62750  1.0 1.0
   59    60    62    40  -0.30950 -1.0 2.0
   59    60    62    40   0.27300  1.0 3.0
   60    49    51    52   0.15000  1.0 3.0
   60    49   -51    53  -0.95700  1.0 1.0
   60    49   -51    53  -0.18200 -1.0 2.0
   60    49   -51    53   0.29450  1.0 3.0
   60    49    51    55   0.56750  1.0 1.0
   60    49    51    55  -0.07550 -1.0 2.0
   60    49    51    55   0.20000  1.0 3.0
   60    62    64    65   0.09850  1.0 1.0
   60    62    64    65   0.15250 -1.0 2.0
   60    62    64    65  -0.50650  1.0 3.0
   60    62    64    67   0.46850  1.0 1.0
   60    62    64    67   0.08550 -1.0 2.0
   60    62    64    67   0.09800  1.0 3.0
   60    62    40    33   0.56750  1.0 1.0
   60    62    40    33  -0.07550 -1.0 2.0
   60    62    40    33   0.20000  1.0 3.0
   60    62    40    71  -0.95700  1.0 1.0
   60    62    40    71  -0.18200 -1.0 2.0
   60    62    40    71   0.29450  1.0 3.0
   60    62    40    41   0.15000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    40   0.15000  1.0 3.0
   62    64    65    66   7.00000 -1.0 2.0
   62    64   -65    71   7.00000 -1.0 2.0
   62    64    67    68   0.34800  1.0 3.0
   62    64    67    69   0.34800  1.0 3.0
   62    64    67    70   0.34800  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.34800  1.0 3.0
   63    62    40    33   0.15000  1.0 3.0
   63    62    40    71  -0.11250  1.0 3.0
   63    62    40    41   0.15000  1.0 3.0
   64    62    40    33   0.34400  1.0 1.0
   64    62    40    33   0.09450 -1.0 2.0
   64    62    40    33   0.11100  1.0 3.0
   64    62   -40    71  -0.98800  1.0 1.0
   64    62   -40    71   0.48800 -1.0 2.0
   64    62   -40    71   0.76800  1.0 3.0
   64    62    40    41   0.15000  1.0 3.0
   64    65    71    72   1.00000 -1.0 2.0
   64    65   -71    40  -0.33500  1.0 1.0
   64    65   -71    40   1.06600 -1.0 2.0
   64    65   -71    40  -0.14000  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    40    33   0.65300  1.0 1.0
   65    71    40    33  -0.03850 -1.0 2.0
   65    71    40    33   0.33900  1.0 3.0
   65    71   -40    62   0.65300  1.0 1.0
   65    71   -40    62  -0.03850 -1.0 2.0
   65    71   -40    62   0.33900  1.0 3.0
   65    71    40    41   0.00000  1.0 1.0
   66    65    71    72   0.00000  1.0 1.0
   66    65    71    40   0.04550  1.0 1.0
   66    65    71    40   0.83000 -1.0 2.0
   66    65    71    40  -0.04000  1.0 3.0
   72    71    40    33   0.30150 -1.0 2.0
   72    71    40    62   0.30150 -1.0 2.0
   72    71    40    41   0.00000  1.0 1.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   40    62   -64    65   0.09850  1.0 1.0
   40    62   -64    65   0.15250 -1.0 2.0
   40    62   -64    65  -0.50650  1.0 3.0
   40    62    64    67   0.46850  1.0 1.0
   40    62    64    67   0.08550 -1.0 2.0
   40    62    64    67   0.09800  1.0 3.0
   67    64    65    66   7.00000 -1.0 2.0
   67    64    65    71   7.00000 -1.0 2.0
   55    51    53    54   0.30150 -1.0 2.0
   55    51    53    59   0.36750  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    62   0.56750  1.0 1.0
   42    33    40    62  -0.07550 -1.0 2.0
   42    33    40    62   0.20000  1.0 3.0
   42    33    40    71  -0.95700  1.0 1.0
   42    33    40    71  -0.18200 -1.0 2.0
   42    33    40    71   0.29450  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   51    59    53    54  10.50000 -1.0 2.0
   62    67    64    65   1.10000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    40    71    72  10.50000 -1.0 2.0
END
