* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    142    219     419
    1     0 S   NP   _N1_     1    28.99738    96.05600   -20.79529
    2     1 S   H    _HN1     2     1.02779    85.75133   -77.14211
    3     1 S   H    _H1_     3     1.02953    81.34369    32.18379
    4     1 S   H    _H2_     4     1.02831    41.98312   159.95808
    5     1 S   CT   _CA1     5     1.50133   152.43045   150.19304
    6     5 S   HC   _HA1     6     1.09570   105.20787    66.17548
    7     5 S   CO3  _C1_     7     1.53832   112.39468   -54.04880
    8     7 S   O2Z  _O11     8     1.26374   114.97769   -41.79818
    9     7 S   O2Z  _O12     9     1.26235   114.98585   137.31844
   10     5 S   CT   _CB1    10     1.53106   107.41478  -175.80091
   11    10 S   HC   HB11    11     1.09820   109.45329   -48.89878
   12    10 S   HC   HB12    12     1.09818   110.42319    67.77177
   13    10 S   CT   _CG1    13     1.52932   112.56062  -169.91445
   14    13 S   HC   HG11    14     1.09484   110.46217   -62.72103
   15    13 S   HC   HG12    15     1.09660   109.97840    56.37064
   16    13 S   C    _CD1    16     1.51786   112.43136   176.62565
   17    16 S   O    _OE1    17     1.22710   123.34051    -4.82410
   18    16 S   N    _N2_    18     1.38579   111.49799   175.74163
   19    18 S   H    _HN2    19     1.01600   118.90689     0.66969
   20    18 S   CT1  _CA2    20     1.46204   123.58671   178.67810
   21    20 S   HC   _HA2    21     1.09730   109.44537    -7.18379
   22    20 S   C    _C2_    22     1.53440   108.29844  -122.63936
   23    22 S   O    _O2_    23     1.23031   122.41445  -147.97133
   24    20 S   CT   _CB2    32     1.53246   111.23619   115.08367
   25    24 S   HC   HB21    33     1.09431   109.79335    54.22843
   26    24 S   HC   HB22    34     1.09505   110.77707   172.50506
   27    22 S   N    _N3_    24     1.38380   113.49644    39.57487
   28    27 S   H    _HN3    25     1.01634   119.49186    -3.70137
   29    24 S   S    _SG2    35     1.82853   111.46241   -68.70616
   30    27 S   CT   _CA3    26     1.45286   123.13532   176.95451
   31    30 S   HC   HA31    27     1.09552   107.53391   -63.54777
   32    30 S   HC   HA32    28     1.09558   107.93719    52.85854
   33    29 S   CT   _C15    36     1.85749   100.18651   139.34575
   34    33 S   HC   _H6_    37     1.09622   105.64109    35.30972
   35    30 S   CO3  _C3_    29     1.52936   114.13630   174.82206
   36    35 S   O2Z  _O31    30     1.26365   116.05698    -1.16113
   37    35 S   O2Z  _O32    31     1.26430   114.41159   178.90122
   38    33 S   CT   _C8_    38     1.56720   108.47740   -81.17667
   39    38 S   HC   _H4_    39     1.10007   107.64975    51.88626
   40    33 S   CT   _C16    66     1.55097   110.15007   151.22536
   41    40 S   HC   _H7_    67     1.09597   110.39237    70.10203
   42    38 S   CM   _C9_    40     1.50828   114.56435   168.14127
   43    38 S   CT   _C7_    55     1.55439   114.34577   -65.02327
   44    43 S   HC   _H13    56     1.09571   110.30227    66.01557
   45    43 S   HC   _H14    57     1.09550   111.24764   -51.94661
   46    40 S   CO3  _C18    68     1.54325   113.62363  -167.23486
   47    46 S   O2Z  _O34    69     1.26339   116.15477    47.53973
   48    46 S   O2Z  _O33    70     1.26506   114.54395  -133.61340
   49    40 S   CT   _C17    71     1.53816   114.39412   -51.36424
   50    49 S   HC   _H22    72     1.09614   111.55628   -47.42914
   51    49 S   HC   _H23    73     1.09463   111.31685    73.33847
   52    49 S   HC   _H24    74     1.09682   111.71547  -167.87571
   53    42 S   CM   _C10    41     1.34213   129.88771   -72.18615
   54    53 S   CT   _C11    42     1.49958   111.56672  -173.65674
   55    54 S   HC   _H15    43     1.09515   110.34071   108.55163
   56    54 S   HC   _H16    44     1.09448   112.01667  -130.01325
   57    53 S   CT   _C14    62     1.48721   128.80471     3.24540
   58    57 S   HC   _H19    63     1.09439   110.22351   117.85376
   59    57 S   HC   _H20    64     1.09235   112.44823    -2.63975
   60    57 S   HC   _H21    65     1.09471   110.23471  -122.50011
   61    54 S   CT   _C12    45     1.52782   103.58142   -10.50695
   62    61 S   HC   _H17    46     1.09361   112.70774   143.88634
   63    61 S   HC   _H18    47     1.09903   108.55614   -98.91158
   64    42 S   CT   _C13    48     1.50369   118.03544   116.37630
   65    64 S   HC   _H5_    49     1.09692   109.90447   -59.11507
   66    64 S   CT   _C5_    50     1.54321   109.91409    59.43606
   67    66 S   HC   _H3_    51     1.09872   106.84527  -161.36791
   68    66 S   CT   _C6_    52     1.55175   111.10713   -44.12136
   69    68 S   HC   _H11    53     1.09673   109.05883  -132.62244
   70    68 S   HC   _H12    54     1.09710   110.20941   111.33831
   71    66 S   CT   _C4_    58     1.53335   115.18433    80.64627
   72    71 S   HC   _H8_    59     1.09478   111.65471   -59.34771
   73    71 S   HC   _H9_    60     1.09596   110.37830  -179.11663
   74    71 S   HC   _H10    61     1.09353   111.66256    62.08245
  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  10   5   4   3
  19   8   2   1   1  19   8  10   7  20  10   5   4   6   2   1
   3   2   1   1  13  12   6   5   5   2   1   1   8   4   3  10
   4   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    43    40    41    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    64    68    43    44    45    40    41    46    47    48    49    50    51    52  
   38    39    42    43    40    41    46    49  
   36    37  
   37  
    0  
   39    42    53    54    61    64    65    66    68    69    70    43    44    45    57    40    41    46    49  
   42    53    64    68    43    44    45    40  
   41    46    47    48    49    50    51    52    42    43  
   46    47    48    49    50    51    52  
   53    54    55    56    61    62    63    64    65    66    67    68    43    44    45    71    57    58    59    60  
   44    45    71    53    64    66    67    68    69    70  
   45    66    68    69    70  
   66    68    69    70  
   47    48    49    50    51    52  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    61    62    63    64    65    66    57    58    59    60  
   55    56    61    62    63    64    65    66    57    58    59    60  
   56    61    62    63    64    57  
   61    62    63    64    57  
   58    59    60    61    64  
   59    60  
   60  
    0  
   62    63    64    65    66    67    68    71  
   63    64    65    66  
   64    65    66  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    71  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   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   0.107500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.510
   38    43   268.000  1.529
   42    53   549.000  1.340
   42    64   317.000  1.510
   53    54   317.000  1.510
   53    57   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   40    41   340.000  1.090
   40    46   317.000  1.522
   40    49   268.000  1.529
   46    47   656.000  1.250
   46    48   656.000  1.250
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    70.00000  112.02700
   33    38    43    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    70.00000  109.69300
   33    40    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    53    70.00000  124.00000
   38    42    64    65.00000  117.92700
   38    43    68    58.35000  112.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   42    38    39    35.00000  109.50000
   42    53    54    70.00000  124.00000
   42    53    57    70.00000  124.00000
   42    64    61    70.00000  112.02700
   42    64    65    35.00000  109.50000
   42    64    66    70.00000  112.02700
   53    54    55    35.00000  109.50000
   53    54    56    35.00000  109.50000
   53    54    61    70.00000  112.02700
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   53    57    60    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    42    53    70.00000  124.00000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    58.35000  112.70000
   64    66    71    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    43    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   68    66    67    37.50000  110.70000
   68    43    44    37.50000  110.70000
   68    43    45    37.50000  110.70000
   70    68    69    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    42    70.00000  112.02700
   43    68    69    37.50000  110.70000
   43    68    70    37.50000  110.70000
   45    43    44    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    53    54    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    46    47    70.00000  117.00000
   40    46    48    70.00000  117.00000
   40    49    50    37.50000  110.70000
   40    49    51    37.50000  110.70000
   40    49    52    37.50000  110.70000
   46    40    41    35.00000  109.50000
   48    46    47    80.00000  126.00000
   49    40    41    37.50000  110.70000
   49    40    46    70.00000  109.69300
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    40    49   0.44750  1.0 1.0
   29    33    40    49  -0.17800 -1.0 2.0
   29    33    40    49   0.20200  1.0 3.0
   33    38    42    53   0.09850  1.0 1.0
   33    38    42    53   0.15250 -1.0 2.0
   33    38    42    53  -0.50650  1.0 3.0
   33    38    42    64   0.46850  1.0 1.0
   33    38    42    64   0.08550 -1.0 2.0
   33    38    42    64   0.09800  1.0 3.0
   33    38    43    68   0.56750  1.0 1.0
   33    38    43    68  -0.07550 -1.0 2.0
   33    38    43    68   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    40    46    47   0.41150 -1.0 2.0
   33    40    46    48   0.41150 -1.0 2.0
   33    40    49    50   0.15000  1.0 3.0
   33    40    49    51   0.15000  1.0 3.0
   33    40    49    52   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    46  -0.11250  1.0 3.0
   34    33    40    49   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    46  -1.63150  1.0 1.0
   38    33    40    46  -0.43550 -1.0 2.0
   38    33    40    46   0.24500  1.0 3.0
   38    33    40    49   0.56750  1.0 1.0
   38    33    40    49  -0.07550 -1.0 2.0
   38    33    40    49   0.20000  1.0 3.0
   38    42    53    54   7.00000 -1.0 2.0
   38    42    53    57   7.00000 -1.0 2.0
   38    42    64    61   0.46850  1.0 1.0
   38    42    64    61   0.08550 -1.0 2.0
   38    42    64    61   0.09800  1.0 3.0
   38    42    64    65   0.34800  1.0 3.0
   38    42    64    66   0.46850  1.0 1.0
   38    42    64    66   0.08550 -1.0 2.0
   38    42    64    66   0.09800  1.0 3.0
   39    38    42    53   0.00000  1.0 1.0
   39    38    42    64   0.34800  1.0 3.0
   39    38    43    68   0.15000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   42    38    43    68   0.34400  1.0 1.0
   42    38    43    68   0.09450 -1.0 2.0
   42    38    43    68   0.11100  1.0 3.0
   42    38    43    44   0.15000  1.0 3.0
   42    38    43    45   0.15000  1.0 3.0
   42    53    54    55   0.00000  1.0 1.0
   42    53    54    56   0.00000  1.0 1.0
   42    53   -54    61   0.09850  1.0 1.0
   42    53   -54    61   0.15250 -1.0 2.0
   42    53   -54    61  -0.50650  1.0 3.0
   42    53    57    58   0.00000  1.0 1.0
   42    53    57    59   0.00000  1.0 1.0
   42    53    57    60   0.00000  1.0 1.0
   42    64    66    67   0.15000  1.0 3.0
   42    64   -66    68   0.34400  1.0 1.0
   42    64   -66    68   0.09450 -1.0 2.0
   42    64   -66    68   0.11100  1.0 3.0
   42    64    66    71   0.34400  1.0 1.0
   42    64    66    71   0.09450 -1.0 2.0
   42    64    66    71   0.11100  1.0 3.0
   53    42   -64    61   0.09850  1.0 1.0
   53    42   -64    61   0.15250 -1.0 2.0
   53    42   -64    61  -0.50650  1.0 3.0
   53    42    64    65   0.00000  1.0 1.0
   53    42    64    66   0.09850  1.0 1.0
   53    42    64    66   0.15250 -1.0 2.0
   53    42    64    66  -0.50650  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.34400  1.0 1.0
   53    54   -61    64   0.09450 -1.0 2.0
   53    54   -61    64   0.11100  1.0 3.0
   54    53    57    58   0.34800  1.0 3.0
   54    53    57    59   0.34800  1.0 3.0
   54    53    57    60   0.34800  1.0 3.0
   54    61   -64    42   0.34400  1.0 1.0
   54    61   -64    42   0.09450 -1.0 2.0
   54    61   -64    42   0.11100  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61    64    66   0.56750  1.0 1.0
   54    61    64    66  -0.07550 -1.0 2.0
   54    61    64    66   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64    66    67   0.15000  1.0 3.0
   61    64    66    68   0.56750  1.0 1.0
   61    64    66    68  -0.07550 -1.0 2.0
   61    64    66    68   0.20000  1.0 3.0
   61    64    66    71   0.56750  1.0 1.0
   61    64    66    71  -0.07550 -1.0 2.0
   61    64    66    71   0.20000  1.0 3.0
   62    61    64    42   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   63    61    64    42   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   64    42   -53    54   7.00000 -1.0 2.0
   64    42    53    57   7.00000 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    70   0.15000  1.0 3.0
   64    66    68    43   0.56750  1.0 1.0
   64    66    68    43  -0.07550 -1.0 2.0
   64    66    68    43   0.20000  1.0 3.0
   64    66    71    72   0.15000  1.0 3.0
   64    66    71    73   0.15000  1.0 3.0
   64    66    71    74   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   66    68   -43    38   0.56750  1.0 1.0
   66    68   -43    38  -0.07550 -1.0 2.0
   66    68   -43    38   0.20000  1.0 3.0
   66    68    43    44   0.15000  1.0 3.0
   66    68    43    45   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    43   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    74   0.15000  1.0 3.0
   69    68    43    38   0.15000  1.0 3.0
   69    68    43    44   0.15000  1.0 3.0
   69    68    43    45   0.15000  1.0 3.0
   70    68    43    38   0.15000  1.0 3.0
   70    68    43    44   0.15000  1.0 3.0
   70    68    43    45   0.15000  1.0 3.0
   43    38    42    53   0.09850  1.0 1.0
   43    38    42    53   0.15250 -1.0 2.0
   43    38    42    53  -0.50650  1.0 3.0
   43    38   -42    64   0.46850  1.0 1.0
   43    38   -42    64   0.08550 -1.0 2.0
   43    38   -42    64   0.09800  1.0 3.0
   71    66    68    69   0.15000  1.0 3.0
   71    66    68    70   0.15000  1.0 3.0
   71    66    68    43   0.56750  1.0 1.0
   71    66    68    43  -0.07550 -1.0 2.0
   71    66    68    43   0.20000  1.0 3.0
   57    53    54    55   0.34800  1.0 3.0
   57    53    54    56   0.34800  1.0 3.0
   57    53    54    61   0.46850  1.0 1.0
   57    53    54    61   0.08550 -1.0 2.0
   57    53    54    61   0.09800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.34400  1.0 1.0
   40    33    38    42   0.09450 -1.0 2.0
   40    33    38    42   0.11100  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    49    50   0.15000  1.0 3.0
   41    40    49    51   0.15000  1.0 3.0
   41    40    49    52   0.15000  1.0 3.0
   46    40    49    50  -0.11250  1.0 3.0
   46    40    49    51  -0.11250  1.0 3.0
   46    40    49    52  -0.11250  1.0 3.0
   49    40    46    47   0.41150 -1.0 2.0
   49    40    46    48   0.41150 -1.0 2.0
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
   38    64    42    53   1.10000 -1.0 2.0
   54    57    53    42   1.10000 -1.0 2.0
   47    40    46    48  10.50000 -1.0 2.0
END
