* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    233     433
    1     0 S   NP   _N1_     1    28.57749    95.12322   -22.74872
    2     1 S   H    _HN1     2     1.02960    83.10468    22.02440
    3     1 S   H    _H1_     3     1.02837    30.20930   164.59992
    4     1 S   H    _H2_     4     1.02780    99.20466   -85.51033
    5     1 S   CT   _CA1     5     1.50115   138.32433   135.11764
    6     5 S   HC   _HA1     6     1.09575   105.23152    74.47355
    7     5 S   CO3  _C1_     7     1.53776   112.40893   -45.74498
    8     7 S   O2Z  _O11     8     1.26358   114.99981   -43.63106
    9     7 S   O2Z  _O12     9     1.26238   114.91885   135.57343
   10     5 S   CT   _CB1    10     1.53097   107.43831  -167.61063
   11    10 S   HC   HB11    11     1.09825   109.31472   -50.86041
   12    10 S   HC   HB12    12     1.09819   110.41995    65.68241
   13    10 S   CT   _CG1    13     1.53019   112.68777  -171.96300
   14    13 S   HC   HG11    14     1.09595   110.46295   -64.22484
   15    13 S   HC   HG12    15     1.09655   109.95983    55.00294
   16    13 S   C    _CD1    16     1.51821   112.32266   175.35497
   17    16 S   O    _OE1    17     1.22719   123.24951    -1.02660
   18    16 S   N    _N2_    18     1.38640   111.64418   179.18747
   19    18 S   H    _HN2    19     1.01577   119.02068     1.45023
   20    18 S   CT1  _CA2    20     1.46214   123.40314   179.49371
   21    20 S   HC   _HA2    21     1.09736   109.41228    -4.22777
   22    20 S   C    _C2_    22     1.53493   108.32646  -119.78238
   23    22 S   O    _O2_    23     1.23022   122.23794  -144.72870
   24    20 S   CT   _CB2    32     1.53395   111.61673   117.77192
   25    24 S   HC   HB21    33     1.09594   110.02599    56.08195
   26    24 S   HC   HB22    34     1.09450   110.00278   175.04623
   27    22 S   N    _N3_    24     1.38510   113.46382    42.54068
   28    27 S   H    _HN3    25     1.01502   118.96818    -0.49138
   29    24 S   S    _SG2    35     1.82898   111.67749   -64.63448
   30    27 S   CT   _CA3    26     1.45461   123.50214   175.21988
   31    30 S   HC   HA31    27     1.09517   109.33145    22.81245
   32    30 S   HC   HA32    28     1.09498   107.10214   139.82787
   33    29 S   CT   _C9_    36     1.84681    99.80535   178.86875
   34    33 S   HC   _H3_    37     1.09828   105.26021   -31.52322
   35    30 S   CO3  _C3_    29     1.52917   113.02979  -100.73042
   36    35 S   O2Z  _O31    30     1.26407   115.36305   -45.40606
   37    35 S   O2Z  _O32    31     1.26348   115.00870   135.49970
   38    33 S   CM   _C4_    38     1.50475   109.47360    82.49252
   39    38 S   HC   _H21    39     1.09110   115.73384   -42.08129
   40    38 S   CMA  _C5_    40     1.35169   127.65733   140.43359
   41    40 S   OM   _O16    41     1.26454   127.25239   179.51463
   42    40 S   CT   _C14    42     1.56540   119.64332    -1.03249
   43    42 S   CT   _C8_    43     1.58201   112.89443   136.99232
   44    43 S   HC   _H24    44     1.09760   110.91234    63.97134
   45    43 S   HC   _H25    45     1.09909   108.97487   -52.67288
   46    42 S   CT   _C12    58     1.58975   109.83626    18.13338
   47    46 S   HC   _H29    59     1.10460   106.51979    65.40840
   48    42 S   CT   _C17    71     1.55792   107.15176  -105.59773
   49    48 S   HC   _H34    72     1.09155   113.41395   164.47297
   50    48 S   HC   _H35    73     1.09269   112.46543    41.85223
   51    48 S   HC   _H36    74     1.09773   110.86092   -76.12424
   52    43 S   CT   _C7_    46     1.54010   114.32449  -174.20864
   53    52 S   HC   _H22    47     1.09585   109.32792   176.19317
   54    52 S   HC   _H23    48     1.09579   110.38377   -66.60901
   55    33 S   CT   _C15    60     1.55757   113.02401  -148.23522
   56    52 S   CT   _C11    49     1.51377   109.17642    55.59167
   57    56 S   HC   _H28    50     1.10187   108.27458    61.36905
   58    55 S   CT   _C18    61     1.53537   115.75538   -36.43973
   59    58 S   HC   _H37    62     1.09422   111.56163  -167.46604
   60    58 S   HC   _H38    63     1.09678   111.36965    75.80031
   61    58 S   HC   _H39    64     1.09076   112.84482   -44.99638
   62    55 S   OH   _O19    65     1.44329   106.09451    80.53051
   63    62 S   HO   _H40    66     0.97302   107.65356   -59.77714
   64    56 S   CT   _C10    51     1.51601   119.19168  -174.80895
   65    64 S   HC   _H27    52     1.09614   111.71922    46.21468
   66    64 S   CO4  _C6_    53     1.51907    99.34492   160.45039
   67    66 S   O    _O17    54     1.22096   126.18910   159.94006
   68    64 S   CT   _C16    67     1.51692   113.29114   -79.78205
   69    68 S   HC   _H31    68     1.09560   111.59687   -58.24265
   70    68 S   HC   _H32    69     1.09528   110.52875  -177.41321
   71    68 S   HC   _H33    70     1.09437   111.01046    62.69865
   72    66 S   OS   _O18    55     1.37855   109.44705   -20.47894
   73    56 S   CT   _C13    56     1.51543   111.14574   -58.75075
   74    73 S   HC   _H30    57     1.09532   111.79599   -59.54836
  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
  16   7   2   1   1  10   4  14   4  19  16   7   6  20   8   6
   2   1   1  11   5   4  10  12   7   6   3   2   1   2   1  10
   8   8   3   5   2   1   1   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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    55    58    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    73    46    47    55    58    59    60    61    62    63  
   38    39    40    46    55    58    62  
   36    37  
   37  
    0  
   39    40    41    42    43    46    55    58    62    48  
   40    41    42    55  
   41    42    43    44    45    52    73    46    47    55    48    49    50    51  
   42    43    46    48  
   43    44    45    52    53    54    56    72    73    74    46    47    55    58    62    48    49    50    51  
   44    45    52    53    54    56    57    64    73    46    47    55    48    49    50    51  
   45    52    53    54    56    46    48  
   52    53    54    56    46    48  
   47    55    58    59    60    61    62    63    48    49    50    51    52    56    57    64    66    72    73    74  
   55    58    62    48    56    72    73    74  
   49    50    51    52    55    73  
   50    51  
   51  
    0  
   53    54    56    57    64    65    66    72    73    74    68  
   54    56    57    64    73  
   56    57    64    73  
   58    59    60    61    62    63    56    72    73    74  
   57    64    65    66    67    72    73    74    68    69    70    71  
   64    65    66    72    73    74    68  
   59    60    61    62    63    73  
   60    61    62  
   61    62  
   62  
   63    73  
    0  
   65    66    67    72    73    74    68    69    70    71  
   66    67    72    73    68    69    70    71  
   67    72    73    74    68    69    70    71  
   72    73    68  
   69    70    71    72    73  
   70    71  
   71  
    0  
   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   3.5500   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.030000   1.3810   1.2100   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    55   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    46   268.000  1.529
   42    48   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    64   268.000  1.529
   56    73   268.000  1.529
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    68   268.000  1.529
   66    67   570.000  1.229
   66    72   214.000  1.327
   72    73   320.000  1.410
   73    74   340.000  1.090
   73    46   268.000  1.529
   46    47   340.000  1.090
   46    55   268.000  1.529
   55    58   268.000  1.529
   55    62   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    55    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    55    46    58.35000  112.70000
   33    55    58    58.35000  112.70000
   33    55    62    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    46    70.00000  112.02700
   40    42    48    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    52    58.35000  112.70000
   42    46    73    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    46    55    58.35000  112.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    56    58.35000  112.70000
   45    43    44    33.00000  107.80000
   52    43    44    37.50000  110.70000
   52    43    45    37.50000  110.70000
   52    56    57    37.50000  110.70000
   52    56    64    58.35000  112.70000
   52    56    73    58.35000  112.70000
   54    52    53    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    63.00000  111.10000
   56    64    68    58.35000  112.70000
   56    73    72    50.00000  109.50000
   56    73    74    37.50000  110.70000
   56    73    46    58.35000  112.70000
   64    56    57    37.50000  110.70000
   64    66    67    80.00000  120.40000
   64    66    72    81.00000  111.40000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   66    64    65    35.00000  109.50000
   66    72    73    83.00000  116.90000
   72    66    67    83.00000  123.40000
   72    73    74    35.00000  109.50000
   72    73    46    50.00000  109.50000
   73    56    57    37.50000  110.70000
   73    56    64    58.35000  112.70000
   73    46    47    37.50000  110.70000
   73    46    55    58.35000  112.70000
   46    42    43    58.35000  112.70000
   46    73    74    37.50000  110.70000
   46    55    58    58.35000  112.70000
   46    55    62    50.00000  109.50000
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    46    47    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    37.50000  110.70000
   55    62    63    55.00000  108.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    55    58    50.00000  109.50000
   68    64    65    37.50000  110.70000
   68    64    66    63.00000  111.10000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   48    42    43    58.35000  112.70000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    55    46   0.44750  1.0 1.0
   29    33    55    46  -0.17800 -1.0 2.0
   29    33    55    46   0.20200  1.0 3.0
   29    33    55    58   0.44750  1.0 1.0
   29    33    55    58  -0.17800 -1.0 2.0
   29    33    55    58   0.20200  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    55    58    59   0.15000  1.0 3.0
   33    55    58    60   0.15000  1.0 3.0
   33    55    58    61   0.15000  1.0 3.0
   33    55    62    63  -0.11600  1.0 1.0
   33    55    62    63  -0.09450 -1.0 2.0
   33    55    62    63   0.21250  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    55    46   0.15000  1.0 3.0
   34    33    55    58   0.15000  1.0 3.0
   34    33    55    62   0.23400  1.0 3.0
   38    33    55    46   0.34400  1.0 1.0
   38    33    55    46   0.09450 -1.0 2.0
   38    33    55    46   0.11100  1.0 3.0
   38    33    55    58   0.34400  1.0 1.0
   38    33    55    58   0.09450 -1.0 2.0
   38    33    55    58   0.11100  1.0 3.0
   38    33    55    62   1.05650  1.0 1.0
   38    33    55    62   0.15600 -1.0 2.0
   38    33    55    62   0.53150  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    46   0.09850  1.0 1.0
   38    40   -42    46   0.15250 -1.0 2.0
   38    40   -42    46  -0.50650  1.0 3.0
   38    40    42    48   0.09850  1.0 1.0
   38    40    42    48   0.15250 -1.0 2.0
   38    40    42    48  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    45   0.15000  1.0 3.0
   40    42    43    52   0.34400  1.0 1.0
   40    42    43    52   0.09450 -1.0 2.0
   40    42    43    52   0.11100  1.0 3.0
   40    42    46    73   0.34400  1.0 1.0
   40    42    46    73   0.09450 -1.0 2.0
   40    42    46    73   0.11100  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    46    55   0.34400  1.0 1.0
   40    42    46    55   0.09450 -1.0 2.0
   40    42    46    55   0.11100  1.0 3.0
   40    42    48    49   0.15000  1.0 3.0
   40    42    48    50   0.15000  1.0 3.0
   40    42    48    51   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   41    40    42    48   0.09700  1.0 1.0
   41    40    42    48   0.15600 -1.0 2.0
   41    40    42    48  -0.50800  1.0 3.0
   42    43    52    53   0.15000  1.0 3.0
   42    43    52    54   0.15000  1.0 3.0
   42    43    52    56   0.56750  1.0 1.0
   42    43    52    56  -0.07550 -1.0 2.0
   42    43    52    56   0.20000  1.0 3.0
   42    46   -55    33   0.56750  1.0 1.0
   42    46   -55    33  -0.07550 -1.0 2.0
   42    46   -55    33   0.20000  1.0 3.0
   42    46    55    58   0.56750  1.0 1.0
   42    46    55    58  -0.07550 -1.0 2.0
   42    46    55    58   0.20000  1.0 3.0
   42    46    55    62   0.86500  1.0 1.0
   42    46    55    62  -0.17500 -1.0 2.0
   42    46    55    62   0.20800  1.0 3.0
   43    42    46    73   0.56750  1.0 1.0
   43    42    46    73  -0.07550 -1.0 2.0
   43    42    46    73   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    55   0.56750  1.0 1.0
   43    42    46    55  -0.07550 -1.0 2.0
   43    42    46    55   0.20000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    52    56    57   0.15000  1.0 3.0
   43    52    56    64   0.56750  1.0 1.0
   43    52    56    64  -0.07550 -1.0 2.0
   43    52    56    64   0.20000  1.0 3.0
   43    52   -56    73   0.56750  1.0 1.0
   43    52   -56    73  -0.07550 -1.0 2.0
   43    52   -56    73   0.20000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    56   0.15000  1.0 3.0
   45    43    52    53   0.15000  1.0 3.0
   45    43    52    54   0.15000  1.0 3.0
   45    43    52    56   0.15000  1.0 3.0
   52    56    64    65   0.15000  1.0 3.0
   52    56    64    66  -0.95700  1.0 1.0
   52    56    64    66  -0.18200 -1.0 2.0
   52    56    64    66   0.29450  1.0 3.0
   52    56    64    68   0.56750  1.0 1.0
   52    56    64    68  -0.07550 -1.0 2.0
   52    56    64    68   0.20000  1.0 3.0
   52    56    73    72   0.62750  1.0 1.0
   52    56    73    72  -0.30950 -1.0 2.0
   52    56    73    72   0.27300  1.0 3.0
   52    56    73    74   0.15000  1.0 3.0
   52    56    73    46   0.56750  1.0 1.0
   52    56    73    46  -0.07550 -1.0 2.0
   52    56    73    46   0.20000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    64   0.15000  1.0 3.0
   53    52    56    73   0.15000  1.0 3.0
   54    52    56    57   0.15000  1.0 3.0
   54    52    56    64   0.15000  1.0 3.0
   54    52    56    73   0.15000  1.0 3.0
   56    64    66    67   0.30150 -1.0 2.0
   56    64   -66    72   0.36750  1.0 3.0
   56    64    68    69   0.15000  1.0 3.0
   56    64    68    70   0.15000  1.0 3.0
   56    64    68    71   0.15000  1.0 3.0
   56    73   -46    42   0.56750  1.0 1.0
   56    73   -46    42  -0.07550 -1.0 2.0
   56    73   -46    42   0.20000  1.0 3.0
   56    73    46    47   0.15000  1.0 3.0
   56    73    46    55   0.56750  1.0 1.0
   56    73    46    55  -0.07550 -1.0 2.0
   56    73    46    55   0.20000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66  -0.11250  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   57    56    73    72   0.23400  1.0 3.0
   57    56    73    74   0.15000  1.0 3.0
   57    56    73    46   0.15000  1.0 3.0
   64    56   -73    72   0.62750  1.0 1.0
   64    56   -73    72  -0.30950 -1.0 2.0
   64    56   -73    72   0.27300  1.0 3.0
   64    56    73    74   0.15000  1.0 3.0
   64    56    73    46   0.56750  1.0 1.0
   64    56    73    46  -0.07550 -1.0 2.0
   64    56    73    46   0.20000  1.0 3.0
   64    66   -72    73   1.63150  1.0 1.0
   64    66   -72    73   2.92000 -1.0 2.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    72   0.00000  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   66    64    68    69  -0.11250  1.0 3.0
   66    64    68    70  -0.11250  1.0 3.0
   66    64    68    71  -0.11250  1.0 3.0
   66    72   -73    56  -0.25900  1.0 1.0
   66    72   -73    56  -0.47000 -1.0 2.0
   66    72   -73    56   0.11750  1.0 3.0
   66    72    73    74   0.08050  1.0 3.0
   66    72    73    46  -0.25900  1.0 1.0
   66    72    73    46  -0.47000 -1.0 2.0
   66    72    73    46   0.11750  1.0 3.0
   67    66    72    73   3.00000 -1.0 2.0
   72    73    46    42   0.62750  1.0 1.0
   72    73    46    42  -0.30950 -1.0 2.0
   72    73    46    42   0.27300  1.0 3.0
   72    73    46    47   0.23400  1.0 3.0
   72    73    46    55   0.62750  1.0 1.0
   72    73    46    55  -0.30950 -1.0 2.0
   72    73    46    55   0.27300  1.0 3.0
   73    56    64    65   0.15000  1.0 3.0
   73    56   -64    66  -0.95700  1.0 1.0
   73    56   -64    66  -0.18200 -1.0 2.0
   73    56   -64    66   0.29450  1.0 3.0
   73    56    64    68   0.56750  1.0 1.0
   73    56    64    68  -0.07550 -1.0 2.0
   73    56    64    68   0.20000  1.0 3.0
   73    46    55    33   0.56750  1.0 1.0
   73    46    55    33  -0.07550 -1.0 2.0
   73    46    55    33   0.20000  1.0 3.0
   73    46    55    58   0.56750  1.0 1.0
   73    46    55    58  -0.07550 -1.0 2.0
   73    46    55    58   0.20000  1.0 3.0
   73    46    55    62   0.86500  1.0 1.0
   73    46    55    62  -0.17500 -1.0 2.0
   73    46    55    62   0.20800  1.0 3.0
   74    73    46    42   0.15000  1.0 3.0
   74    73    46    47   0.15000  1.0 3.0
   74    73    46    55   0.15000  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    45   0.15000  1.0 3.0
   46    42   -43    52   0.56750  1.0 1.0
   46    42   -43    52  -0.07550 -1.0 2.0
   46    42   -43    52   0.20000  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    55    58    59   0.15000  1.0 3.0
   46    55    58    60   0.15000  1.0 3.0
   46    55    58    61   0.15000  1.0 3.0
   46    55    62    63  -0.11600  1.0 1.0
   46    55    62    63  -0.09450 -1.0 2.0
   46    55    62    63   0.21250  1.0 3.0
   47    46    55    33   0.15000  1.0 3.0
   47    46    55    58   0.15000  1.0 3.0
   47    46    55    62   0.23400  1.0 3.0
   55    33    38    39   0.00000  1.0 1.0
   55    33   -38    40   0.09850  1.0 1.0
   55    33   -38    40   0.15250 -1.0 2.0
   55    33   -38    40  -0.50650  1.0 3.0
   58    55    62    63  -0.11600  1.0 1.0
   58    55    62    63  -0.09450 -1.0 2.0
   58    55    62    63   0.21250  1.0 3.0
   62    55    58    59   0.23400  1.0 3.0
   62    55    58    60   0.23400  1.0 3.0
   62    55    58    61   0.23400  1.0 3.0
   68    64    66    67   0.30150 -1.0 2.0
   68    64    66    72   0.36750  1.0 3.0
   48    42    43    44   0.15000  1.0 3.0
   48    42    43    45   0.15000  1.0 3.0
   48    42    43    52   0.56750  1.0 1.0
   48    42    43    52  -0.07550 -1.0 2.0
   48    42    43    52   0.20000  1.0 3.0
   48    42    46    73   0.56750  1.0 1.0
   48    42    46    73  -0.07550 -1.0 2.0
   48    42    46    73   0.20000  1.0 3.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    55   0.56750  1.0 1.0
   48    42    46    55  -0.07550 -1.0 2.0
   48    42    46    55   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   64    72    66    67  10.50000 -1.0 2.0
END
