* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    135    206     391
    1     0 S   NP   _N1_     1    28.73906    95.74597   -24.04502
    2     1 S   H    _HN1     2     1.02950    77.07112     9.75580
    3     1 S   H    _H1_     3     1.02829    32.10189   168.66301
    4     1 S   H    _H2_     4     1.02785   107.66922   -95.67242
    5     1 S   CT   _CA1     5     1.50108   133.73607   115.75643
    6     5 S   HC   _HA1     6     1.09572   105.20335    86.19711
    7     5 S   CO3  _C1_     7     1.53793   112.44648   -34.05678
    8     7 S   O2Z  _O11     8     1.26372   115.00870   -42.96604
    9     7 S   O2Z  _O12     9     1.26239   114.94757   136.17659
   10     5 S   CT   _CB1    10     1.53081   107.42505  -155.81219
   11    10 S   HC   HB11    11     1.09832   109.39580   -49.67520
   12    10 S   HC   HB12    12     1.09813   110.44147    66.94020
   13    10 S   CT   _CG1    13     1.52987   112.59135  -170.64813
   14    13 S   HC   HG11    14     1.09584   110.61980   -65.16050
   15    13 S   HC   HG12    15     1.09669   109.79907    54.06724
   16    13 S   C    _CD1    16     1.51799   112.24181   174.53915
   17    16 S   O    _OE1    17     1.22733   123.28137     6.30490
   18    16 S   N    _N2_    18     1.38632   111.63881  -173.80229
   19    18 S   H    _HN2    19     1.01585   119.00826     1.70226
   20    18 S   CT1  _CA2    20     1.46239   123.46912   178.09998
   21    20 S   HC   _HA2    21     1.09739   109.28303     3.36441
   22    20 S   C    _C2_    22     1.53588   109.00864  -112.13811
   23    22 S   O    _O2_    23     1.23066   122.24040  -151.20292
   24    20 S   CT   _CB2    32     1.53335   111.35780   125.24562
   25    24 S   HC   HB21    33     1.09503   109.75818    55.95178
   26    24 S   HC   HB22    34     1.09508   110.33545   175.10471
   27    22 S   N    _N3_    24     1.38322   113.82939    36.41146
   28    27 S   H    _HN3    25     1.01570   119.54911    -3.58763
   29    24 S   S    _SG2    35     1.82911   111.21262   -65.19260
   30    27 S   CT   _CA3    26     1.45275   123.22368   177.05756
   31    30 S   HC   HA31    27     1.09549   107.53487   -64.12807
   32    30 S   HC   HA32    28     1.09557   107.96364    52.31177
   33    29 S   CT   _C7_    36     1.83940    99.81543   179.29501
   34    33 S   HC   _H3_    37     1.09201   103.83030    44.40915
   35    30 S   CO3  _C3_    29     1.52955   114.07304   174.29992
   36    35 S   O2Z  _O31    30     1.26377   116.07057    -0.25717
   37    35 S   O2Z  _O32    31     1.26429   114.41268   179.79537
   38    33 S   CM   _C6_    38     1.51518   110.24754   -71.12754
   39    38 S   HC   _H8_    39     1.08640   116.32402   -60.44760
   40    33 S   C3T  _C8_    46     1.54389   109.14457   158.94535
   41    38 S   CMA  _C5_    40     1.35250   125.65780   119.56797
   42    41 S   OM   _O35    41     1.26143   131.59526    -0.17132
   43    40 S   CT   _C13    47     1.55425   116.15335  -106.70280
   44    40 S   O3T  _O33    57     1.44042   113.38992   121.10599
   45    41 S   CT   _C4_    42     1.51876   117.27518   179.96574
   46    45 S   HC   _H5_    43     1.09767   111.19281   119.38358
   47    45 S   HC   _H6_    44     1.09665   112.37820    -0.10279
   48    45 S   HC   _H7_    45     1.09765   111.19825  -119.58970
   49    43 S   CT   _C12    48     1.55105   111.63165   179.79158
   50    49 S   HC   _H11    49     1.09859   110.43189  -171.07954
   51    49 S   HC   _H12    50     1.09965   110.36600    73.65046
   52    43 S   CT   _C14    64     1.54475   110.35399    59.05468
   53    52 S   HC   _H13    65     1.09494   111.95517   -68.19212
   54    52 S   HC   _H14    66     1.09598   111.20121   172.49917
   55    52 S   HC   _H15    67     1.09477   111.68179    51.83574
   56    43 S   CT   _C15    68     1.54469   110.82147   -61.38143
   57    56 S   HC   _H16    69     1.09380   112.32966    65.76712
   58    56 S   HC   _H17    70     1.09579   111.16107   -54.52163
   59    56 S   HC   _H18    71     1.09623   111.03117  -174.55781
   60    49 S   CT   _C11    51     1.52244   112.84443   -48.13245
   61    60 S   HC   _H4_    52     1.09459   110.73790   -56.18898
   62    60 S   CT   _C10    53     1.52057   110.55504    66.79758
   63    62 S   HC   _H9_    54     1.09853   110.17207    74.29399
   64    62 S   HC   _H10    55     1.09800   108.05608  -171.56553
   65    60 S   OH   _O34    62     1.42637   108.29536  -173.71831
   66    65 S   HO   _H19    63     0.97247   107.50655  -179.97202
   67    40 S   C3T  _C9_    56     1.56901   123.06466    56.72455
   68    67 S   CT   _C16    58     1.50291   124.54579     2.23537
   69    68 S   HC   _H20    59     1.08948   113.94692    26.89621
   70    68 S   HC   _H21    60     1.09478   110.05365   -94.86013
   71    68 S   HC   _H22    61     1.09598   110.09763   146.59292
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  11   4  23   5   4  18  12   3   2   1   1
  18   7   6   9   3   2   1   5   2   1   1   8   6   9   4   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    67    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    40    43    49    62    67    44    68    52    56  
   38    39    41    40    43    67    44  
   36    37  
   37  
    0  
   39    41    42    45    46    47    48    40    43    67    44  
   41    42    45    40  
   43    49    50    51    60    62    63    64    67    44    68    69    70    71    52    53    54    55    56    57    58    59    41  
   42    45    46    47    48  
   45    46    47    48  
   49    50    51    60    61    62    67    44    68    65    52    53    54    55    56    57    58    59  
   68    69    70    71    52    56    49    60    62    63    64    67  
   46    47    48  
   47    48  
   48  
    0  
   50    51    60    61    62    63    64    67    65    66    52    53    54    55    56    57    58    59  
   51    60    61    62    65    52    56  
   60    61    62    65    52    56  
   53    54    55    56    57    58    59    60    67  
   54    55    56  
   55    56  
   56  
   57    58    59    60    67  
   58    59  
   59  
    0  
   61    62    63    64    67    68    65    66  
   62    63    64    67    65    66  
   63    64    67    68    69    70    71    65    66  
   64    67    68    65  
   67    68    65  
   66    67  
    0  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   275.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   40    43   275.000  1.510
   40    67   260.000  1.509
   40    44   335.000  1.432
   43    49   268.000  1.529
   43    52   268.000  1.529
   43    56   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   275.000  1.510
   67    44   335.000  1.432
   67    68   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   65    66   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    67    60.00000  120.94000
   33    40    44    80.00000  116.47100
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    45    46    45.00000  110.52000
   41    45    47    45.00000  110.52000
   41    45    48    45.00000  110.52000
   45    41    42    85.00000  112.85300
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   40    33    34    45.00000  109.38400
   40    33    38    70.00000  112.02700
   40    43    49    70.00000  112.37300
   40    43    52    70.00000  112.37300
   40    43    56    70.00000  112.37300
   40    67    62    60.00000  120.94000
   40    67    44    15.00000   60.43100
   40    67    68    60.00000  120.94000
   40    44    67    15.00000   59.14900
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    60    58.35000  112.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    58    37.50000  110.70000
   43    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   49    60    65    50.00000  109.50000
   51    49    50    33.00000  107.80000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    67    70.00000  112.37300
   60    65    66    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    67    44    80.00000  116.47100
   62    67    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    40    43    60.00000  120.94000
   67    62    63    45.00000  109.38400
   67    62    64    45.00000  109.38400
   67    68    69    45.00000  109.38400
   67    68    70    45.00000  109.38400
   67    68    71    45.00000  109.38400
   44    40    43    80.00000  116.47100
   44    40    67    15.00000   60.43100
   68    67    44    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    50.00000  109.50000
   52    43    49    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    43    49    58.35000  112.70000
   56    43    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    40    43    49   0.56750  1.0 1.0
   33    40    43    49  -0.07550 -1.0 2.0
   33    40    43    49   0.20000  1.0 3.0
   33    40    43    52   0.56750  1.0 1.0
   33    40    43    52  -0.07550 -1.0 2.0
   33    40    43    52   0.20000  1.0 3.0
   33    40    43    56   0.56750  1.0 1.0
   33    40    43    56  -0.07550 -1.0 2.0
   33    40    43    56   0.20000  1.0 3.0
   33    40    67    62   0.56750  1.0 1.0
   33    40    67    62  -0.07550 -1.0 2.0
   33    40    67    62   0.20000  1.0 3.0
   33    40   -67    44   0.02550  1.0 1.0
   33    40   -67    44  -0.02600 -1.0 2.0
   33    40   -67    44   1.20400  1.0 3.0
   33    40    67    68   0.56750  1.0 1.0
   33    40    67    68  -0.07550 -1.0 2.0
   33    40    67    68   0.20000  1.0 3.0
   33    40   -44    67   0.06250  1.0 1.0
   33    40   -44    67  -0.01100 -1.0 2.0
   33    40   -44    67   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    33    40    44   0.61850  1.0 1.0
   38    33    40    44  -0.22750 -1.0 2.0
   38    33    40    44   0.15300  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    60   0.47050  1.0 1.0
   40    43    49    60   0.03900 -1.0 2.0
   40    43    49    60   0.20100  1.0 3.0
   40    43    52    53   0.15000  1.0 3.0
   40    43    52    54   0.15000  1.0 3.0
   40    43    52    55   0.15000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    58   0.15000  1.0 3.0
   40    43    56    59   0.15000  1.0 3.0
   40    67    68    69   0.15000  1.0 3.0
   40    67    68    70   0.15000  1.0 3.0
   40    67    68    71   0.15000  1.0 3.0
   43    40    67    62   0.56750  1.0 1.0
   43    40    67    62  -0.07550 -1.0 2.0
   43    40    67    62   0.20000  1.0 3.0
   43    40   -67    44   0.02550  1.0 1.0
   43    40   -67    44  -0.02600 -1.0 2.0
   43    40   -67    44   1.20400  1.0 3.0
   43    40    67    68   0.56750  1.0 1.0
   43    40    67    68  -0.07550 -1.0 2.0
   43    40    67    68   0.20000  1.0 3.0
   43    40   -44    67   0.06250  1.0 1.0
   43    40   -44    67  -0.01100 -1.0 2.0
   43    40   -44    67   0.28050  1.0 3.0
   43    49    60    61   0.15000  1.0 3.0
   43    49   -60    62   0.56750  1.0 1.0
   43    49   -60    62  -0.07550 -1.0 2.0
   43    49   -60    62   0.20000  1.0 3.0
   43    49    60    65   0.86500  1.0 1.0
   43    49    60    65  -0.17500 -1.0 2.0
   43    49    60    65   0.20800  1.0 3.0
   49    43    52    53   0.15000  1.0 3.0
   49    43    52    54   0.15000  1.0 3.0
   49    43    52    55   0.15000  1.0 3.0
   49    43    56    57   0.15000  1.0 3.0
   49    43    56    58   0.15000  1.0 3.0
   49    43    56    59   0.15000  1.0 3.0
   49    60    62    63   0.15000  1.0 3.0
   49    60    62    64   0.15000  1.0 3.0
   49    60    62    67   0.47050  1.0 1.0
   49    60    62    67   0.03900 -1.0 2.0
   49    60    62    67   0.20100  1.0 3.0
   49    60    65    66  -0.11600  1.0 1.0
   49    60    65    66  -0.09450 -1.0 2.0
   49    60    65    66   0.21250  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    65   0.23400  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.15000  1.0 3.0
   51    49    60    65   0.23400  1.0 3.0
   60    62   -67    40   0.07850  1.0 1.0
   60    62   -67    40  -0.03950 -1.0 2.0
   60    62   -67    40   0.67350  1.0 3.0
   60    62    67    44   0.02550  1.0 1.0
   60    62    67    44  -0.02600 -1.0 2.0
   60    62    67    44   1.20400  1.0 3.0
   60    62    67    68   0.56750  1.0 1.0
   60    62    67    68  -0.07550 -1.0 2.0
   60    62    67    68   0.20000  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    67   0.15000  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66  -0.11600  1.0 1.0
   62    60    65    66  -0.09450 -1.0 2.0
   62    60    65    66   0.21250  1.0 3.0
   62    67   -44    40   0.06250  1.0 1.0
   62    67   -44    40  -0.01100 -1.0 2.0
   62    67   -44    40   0.28050  1.0 3.0
   62    67    68    69   0.15000  1.0 3.0
   62    67    68    70   0.15000  1.0 3.0
   62    67    68    71   0.15000  1.0 3.0
   63    62    67    40   0.15000  1.0 3.0
   63    62    67    44   0.23400  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   64    62    67    40   0.15000  1.0 3.0
   64    62    67    44   0.23400  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   67    40   -43    49   0.07850  1.0 1.0
   67    40   -43    49  -0.03950 -1.0 2.0
   67    40   -43    49   0.67350  1.0 3.0
   67    40    43    52   0.07850  1.0 1.0
   67    40    43    52  -0.03950 -1.0 2.0
   67    40    43    52   0.67350  1.0 3.0
   67    40    43    56   0.07850  1.0 1.0
   67    40    43    56  -0.03950 -1.0 2.0
   67    40    43    56   0.67350  1.0 3.0
   44    40    43    49   0.02550  1.0 1.0
   44    40    43    49  -0.02600 -1.0 2.0
   44    40    43    49   1.20400  1.0 3.0
   44    40    43    52   0.02550  1.0 1.0
   44    40    43    52  -0.02600 -1.0 2.0
   44    40    43    52   1.20400  1.0 3.0
   44    40    43    56   0.02550  1.0 1.0
   44    40    43    56  -0.02600 -1.0 2.0
   44    40    43    56   1.20400  1.0 3.0
   44    40   -67    62   0.02550  1.0 1.0
   44    40   -67    62  -0.02600 -1.0 2.0
   44    40   -67    62   1.20400  1.0 3.0
   44    40   -67    68   0.02550  1.0 1.0
   44    40   -67    68  -0.02600 -1.0 2.0
   44    40   -67    68   1.20400  1.0 3.0
   44    67    68    69   0.23400  1.0 3.0
   44    67    68    70   0.23400  1.0 3.0
   44    67    68    71   0.23400  1.0 3.0
   68    67   -44    40   0.06250  1.0 1.0
   68    67   -44    40  -0.01100 -1.0 2.0
   68    67   -44    40   0.28050  1.0 3.0
   65    60    62    63   0.23400  1.0 3.0
   65    60    62    64   0.23400  1.0 3.0
   65    60    62    67   0.86500  1.0 1.0
   65    60    62    67  -0.17500 -1.0 2.0
   65    60    62    67   0.20800  1.0 3.0
   52    43    49    50   0.15000  1.0 3.0
   52    43    49    51   0.15000  1.0 3.0
   52    43    49    60   0.56750  1.0 1.0
   52    43    49    60  -0.07550 -1.0 2.0
   52    43    49    60   0.20000  1.0 3.0
   52    43    56    57   0.15000  1.0 3.0
   52    43    56    58   0.15000  1.0 3.0
   52    43    56    59   0.15000  1.0 3.0
   56    43    49    50   0.15000  1.0 3.0
   56    43    49    51   0.15000  1.0 3.0
   56    43    49    60   0.56750  1.0 1.0
   56    43    49    60  -0.07550 -1.0 2.0
   56    43    49    60   0.20000  1.0 3.0
   56    43    52    53   0.15000  1.0 3.0
   56    43    52    54   0.15000  1.0 3.0
   56    43    52    55   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   45    42    41    38  15.00000 -1.0 2.0
END
