* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    141    223     411
    1     0 S   NP   _N1_     1    28.72712    96.14538   -23.58919
    2     1 S   H    _HN1     2     1.02951    74.54609    15.25328
    3     1 S   H    _H1_     3     1.02828    35.67815   170.48574
    4     1 S   H    _H2_     4     1.02785   105.29065   -90.00070
    5     1 S   CT   _CA1     5     1.50115   137.45455   118.75144
    6     5 S   HC   _HA1     6     1.09575   105.19933    88.57202
    7     5 S   CO3  _C1_     7     1.53791   112.40775   -31.63812
    8     7 S   O2Z  _O11     8     1.26369   115.01349   -43.87428
    9     7 S   O2Z  _O12     9     1.26241   114.92810   135.20490
   10     5 S   CT   _CB1    10     1.53073   107.40522  -153.50639
   11    10 S   HC   HB11    11     1.09831   109.34940   -50.13860
   12    10 S   HC   HB12    12     1.09813   110.45815    66.45544
   13    10 S   CT   _CG1    13     1.52983   112.60996  -171.14523
   14    13 S   HC   HG11    14     1.09588   110.57335   -65.20995
   15    13 S   HC   HG12    15     1.09667   109.84284    54.01910
   16    13 S   C    _CD1    16     1.51804   112.25428   174.41314
   17    16 S   O    _OE1    17     1.22729   123.28914     4.17307
   18    16 S   N    _N2_    18     1.38651   111.64136  -175.70582
   19    18 S   H    _HN2    19     1.01570   118.94629     1.80732
   20    18 S   CT1  _CA2    20     1.46234   123.43345   178.22502
   21    20 S   HC   _HA2    21     1.09736   109.35065     3.35754
   22    20 S   C    _C2_    22     1.53559   108.58847  -112.17048
   23    22 S   O    _O2_    23     1.23059   122.32221  -147.41375
   24    20 S   CT   _CB2    32     1.53389   111.56124   125.33653
   25    24 S   HC   HB21    33     1.09484   109.81557    56.87413
   26    24 S   HC   HB22    34     1.09510   110.10464   175.93129
   27    22 S   N    _N3_    24     1.38347   113.70933    39.99254
   28    27 S   H    _HN3    25     1.01581   119.57327    -3.23065
   29    24 S   S    _SG2    35     1.82672   111.38144   -64.12929
   30    27 S   CT   _CA3    26     1.45287   123.20573   177.16482
   31    30 S   HC   HA31    27     1.09549   107.50242   -64.73619
   32    30 S   HC   HA32    28     1.09557   107.99117    51.69916
   33    29 S   CT   _C18    36     1.83785   100.05089  -174.23938
   34    33 S   HC   _H3_    37     1.09589   106.80789    46.74559
   35    30 S   CO3  _C3_    29     1.52957   114.09278   173.70213
   36    35 S   O2Z  _O31    30     1.26373   116.07016    -0.70886
   37    35 S   O2Z  _O32    31     1.26429   114.41119   179.35260
   38    33 S   CM   _C6_    38     1.51350   109.12190   164.79338
   39    33 S   CT   _C16    70     1.52874   111.37362   -70.43861
   40    39 S   HC   _H32    71     1.09588   112.29752   -55.25773
   41    39 S   HC   _H33    72     1.09631   110.55636  -175.50961
   42    39 S   HC   _H34    73     1.09465   111.48497    65.92391
   43    38 S   CMA  _C7_    39     1.35316   126.77502  -102.22104
   44    43 S   OM   _O16    40     1.26324   127.79420     1.35393
   45    43 S   OS   _O18    41     1.42138   110.40215  -178.40762
   46    45 S   CT   _C15    42     1.42573   107.33642    -4.99218
   47    46 S   CM   _C5_    43     1.49593   109.80650   139.42309
   48    47 S   HC   _H25    44     1.08062   123.87974   -69.47613
   49    38 S   CT   _C10    59     1.49271   122.01574    81.51446
   50    49 S   HC   _H27    60     1.09498   112.19166    62.73840
   51    47 S   CM   _C4_    45     1.33770   111.72467   108.12065
   52    51 S   HC   _H24    46     1.08104   123.88522  -177.36188
   53    51 S   CT   _C9_    47     1.50612   111.96615    -0.10279
   54    53 S   HC   _H26    48     1.09760   107.75988  -104.14183
   55    53 S   CT   _C11    49     1.53265   115.83110   131.67427
   56    55 S   HC   _H28    50     1.10065   108.23321  -179.76677
   57    55 S   CO   _C14    51     1.54206   112.64859   -61.21966
   58    57 S   HC   _H31    52     1.09475   111.27003    98.82437
   59    55 S   CO4  _C8_    63     1.52203   110.66703    64.84403
   60    59 S   O    _O17    64     1.22353   125.25397  -105.67066
   61    57 S   OS   _O20    53     1.42736   113.08648   -20.48624
   62    57 S   OH   _O21    61     1.42639   108.52955  -143.79211
   63    62 S   HO   _H39    62     0.97227   106.73651  -156.95394
   64    59 S   OS   _O22    65     1.36676   109.39622    73.87196
   65    61 S   CO   _C13    54     1.42527   113.76689   -39.73674
   66    65 S   HC   _H30    55     1.09553   109.28316   -59.39272
   67    64 S   CT   _C17    66     1.43057   115.28502  -179.49410
   68    67 S   HC   _H35    67     1.09327   108.10284   179.97202
   69    67 S   HC   _H36    68     1.09422   110.27664    61.29914
   70    67 S   HC   _H37    69     1.09420   110.29388   -61.32997
   71    46 S   CT   _C12    56     1.52633   112.48456  -106.12118
   72    71 S   HC   _H29    57     1.09694   111.47770    22.77738
   73    65 S   OS   _O19    58     1.43359   109.79677  -178.01338
  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
  13   7   2   1   1  14   5   2   1   1   8   3  11  15  12   5
   9   3  10   4  15   7  13   8  11   5   9   2   7   2   1   4
   4   3   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    49    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    45    46    73    49    50    39    40    41    42  
   38    43    49    39    40    41    42  
   36    37  
   37  
    0  
   43    44    45    46    47    65    71    73    49    50    39    40    41    42  
   40    41    42    43    49  
   41    42  
   42  
    0  
   44    45    46    47    71    73    49    50  
   45    46    49  
   46    47    48    51    53    65    71    72    73    49    50  
   47    48    51    52    53    54    55    61    65    66    71    72    73    49    50  
   48    51    52    53    54    55    65    71    72    73    49    50  
   51    52    53    71    49  
   50    51    53    61    65    66    71    72    73  
   65    71    73  
   52    53    54    55    56    57    65    71    72    59  
   53    54    55    71  
   54    55    56    57    58    61    65    66    71    72    73    62    59    60    64  
   55    56    57    65    71    72    59  
   56    57    58    61    65    71    72    62    63    59    60    64    67  
   57    58    61    71    62    59    60    64  
   58    61    65    66    71    73    62    63    59    60    64  
   61    65    62    63    59  
   60    64    67    68    69    70    61    62    71  
   64    67  
   65    66    71    72    73    62    63  
   63    65  
    0  
   67    68    69    70  
   66    71    72    73  
   71    72    73  
   68    69    70  
   69    70  
   70  
    0  
   72    73  
   73  
    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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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    39   268.000  1.529
   38    43   465.000  1.376
   38    49   317.000  1.510
   43    44   745.000  1.250
   43    45   440.000  1.360
   45    46   320.000  1.410
   46    47   317.000  1.510
   46    71   268.000  1.529
   46    49   268.000  1.529
   47    48   340.000  1.080
   47    51   549.000  1.340
   51    52   340.000  1.080
   51    53   317.000  1.510
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    71   268.000  1.529
   55    56   340.000  1.090
   55    57   250.000  1.527
   55    59   317.000  1.522
   57    58   340.000  1.090
   57    61   320.000  1.380
   57    62   380.000  1.407
   61    65   320.000  1.380
   65    66   340.000  1.090
   65    71   250.000  1.527
   65    73   320.000  1.380
   71    72   340.000  1.090
   73    49   320.000  1.410
   49    50   340.000  1.090
   62    63   553.000  0.945
   59    60   570.000  1.229
   59    64   214.000  1.327
   64    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    49    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    45    80.00000  120.01400
   38    49    46    70.00000  112.02700
   38    49    73    85.00000  110.90400
   38    49    50    35.00000  109.50000
   43    45    46    90.00000  111.18400
   45    43    44    65.00000  121.00000
   45    46    47    85.00000  110.90400
   45    46    71    50.00000  109.50000
   45    46    49    50.00000  109.50000
   46    47    48    35.00000  117.00000
   46    47    51    70.00000  124.00000
   46    71    53    58.35000  112.70000
   46    71    65    75.00000  109.43000
   46    71    72    37.50000  110.70000
   46    49    73    50.00000  109.50000
   46    49    50    37.50000  110.70000
   47    51    52    35.00000  120.00000
   47    51    53    70.00000  124.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  109.50000
   51    53    55    70.00000  112.02700
   51    53    71    70.00000  112.02700
   53    51    52    35.00000  117.00000
   53    55    56    37.50000  110.70000
   53    55    57    75.00000  109.43000
   53    55    59    63.00000  111.10000
   53    71    65    75.00000  109.43000
   53    71    72    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    57    58    45.00000  112.01100
   55    57    61    90.00000  108.56700
   55    57    62    90.00000  110.19100
   55    59    60    80.00000  120.40000
   55    59    64    81.00000  111.40000
   57    55    56    45.00000  108.72000
   57    61    65   100.00000  109.58800
   57    62    63    70.00000  107.92000
   61    57    58    35.00000  109.50000
   61    65    66    35.00000  109.50000
   61    65    71    90.00000  108.56700
   61    65    73    92.60000  111.55000
   65    71    72    45.00000  108.72000
   65    73    49    60.00000  109.50000
   71    46    47    70.00000  112.02700
   71    53    54    37.50000  110.70000
   71    53    55    58.35000  112.70000
   71    65    66    45.00000  112.01100
   73    65    66    35.00000  109.50000
   73    65    71    90.00000  108.56700
   73    49    50    35.00000  109.50000
   49    38    43    70.00000  124.00000
   49    46    47    70.00000  112.02700
   49    46    71    58.35000  112.70000
   62    57    58    60.00000  108.02500
   62    57    61   110.00000  112.08000
   59    55    56    35.00000  109.50000
   59    55    57    63.00000  111.10000
   59    64    67    83.00000  116.90000
   64    59    60    83.00000  123.40000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    49   0.30250  1.0 1.0
   29    33    38    49  -0.14950 -1.0 2.0
   29    33    38    49   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   33    38    49    46   0.46850  1.0 1.0
   33    38    49    46   0.08550 -1.0 2.0
   33    38    49    46   0.09800  1.0 3.0
   33    38    49    73   0.09700  1.0 1.0
   33    38    49    73   0.15600 -1.0 2.0
   33    38    49    73  -0.50800  1.0 3.0
   33    38    49    50   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    49   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43   -45    46  -2.26850  1.0 1.0
   38    43   -45    46   3.39050 -1.0 2.0
   43    38   -49    46   0.09850  1.0 1.0
   43    38   -49    46   0.15250 -1.0 2.0
   43    38   -49    46  -0.50650  1.0 3.0
   43    38    49    73   0.39000  1.0 1.0
   43    38    49    73  -0.05800 -1.0 2.0
   43    38    49    73  -0.55150  1.0 3.0
   43    38    49    50   0.00000  1.0 1.0
   43    45    46    47  -0.48150  1.0 1.0
   43    45    46    47   0.09250 -1.0 2.0
   43    45    46    47  -0.12850  1.0 3.0
   43    45    46    71  -0.46850  1.0 1.0
   43    45    46    71   0.09300 -1.0 2.0
   43    45    46    71  -0.12850  1.0 3.0
   43    45   -46    49  -0.46850  1.0 1.0
   43    45   -46    49   0.09300 -1.0 2.0
   43    45   -46    49  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   45    46    47    48   0.00000  1.0 1.0
   45    46    47    51   0.39000  1.0 1.0
   45    46    47    51  -0.05800 -1.0 2.0
   45    46    47    51  -0.55150  1.0 3.0
   45    46    71    53   0.62750  1.0 1.0
   45    46    71    53  -0.30950 -1.0 2.0
   45    46    71    53   0.27300  1.0 3.0
   45    46    71    65   0.62750  1.0 1.0
   45    46    71    65  -0.30950 -1.0 2.0
   45    46    71    65   0.27300  1.0 3.0
   45    46    71    72   0.23400  1.0 3.0
   45    46   -49    38   0.61850  1.0 1.0
   45    46   -49    38  -0.22750 -1.0 2.0
   45    46   -49    38   0.15300  1.0 3.0
   45    46    49    73   1.11900  1.0 1.0
   45    46    49    73  -1.16350 -1.0 2.0
   45    46    49    73  -0.34150  1.0 3.0
   45    46    49    50   0.23400  1.0 3.0
   46    47    51    52   7.00000 -1.0 2.0
   46    47   -51    53   7.00000 -1.0 2.0
   47    46   -71    53   0.34400  1.0 1.0
   47    46   -71    53   0.09450 -1.0 2.0
   47    46   -71    53   0.11100  1.0 3.0
   47    46    71    65   0.34400  1.0 1.0
   47    46    71    65   0.09450 -1.0 2.0
   47    46    71    65   0.11100  1.0 3.0
   47    46    71    72   0.15000  1.0 3.0
   47    46    49    38   0.31000  1.0 1.0
   47    46    49    38   0.14700 -1.0 2.0
   47    46    49    38   0.07550  1.0 3.0
   47    46    49    73   0.61850  1.0 1.0
   47    46    49    73  -0.22750 -1.0 2.0
   47    46    49    73   0.15300  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    51    53    54   0.00000  1.0 1.0
   47    51    53    55   0.09850  1.0 1.0
   47    51    53    55   0.15250 -1.0 2.0
   47    51    53    55  -0.50650  1.0 3.0
   47    51   -53    71   0.09850  1.0 1.0
   47    51   -53    71   0.15250 -1.0 2.0
   47    51   -53    71  -0.50650  1.0 3.0
   48    47    51    52   7.00000 -1.0 2.0
   48    47    51    53   7.00000 -1.0 2.0
   51    53    55    56   0.15000  1.0 3.0
   51    53    55    57   0.34400  1.0 1.0
   51    53    55    57   0.09450 -1.0 2.0
   51    53    55    57   0.11100  1.0 3.0
   51    53    55    59  -0.98800  1.0 1.0
   51    53    55    59   0.48800 -1.0 2.0
   51    53    55    59   0.76800  1.0 3.0
   51    53   -71    46   0.34400  1.0 1.0
   51    53   -71    46   0.09450 -1.0 2.0
   51    53   -71    46   0.11100  1.0 3.0
   51    53    71    65   0.34400  1.0 1.0
   51    53    71    65   0.09450 -1.0 2.0
   51    53    71    65   0.11100  1.0 3.0
   51    53    71    72   0.15000  1.0 3.0
   52    51    53    54   0.33100  1.0 3.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    71   0.00000  1.0 1.0
   53    55    57    58   0.15000  1.0 3.0
   53    55    57    61   0.62750  1.0 1.0
   53    55    57    61  -0.30950 -1.0 2.0
   53    55    57    61   0.27300  1.0 3.0
   53    55    57    62   0.86500  1.0 1.0
   53    55    57    62  -0.17500 -1.0 2.0
   53    55    57    62   0.20800  1.0 3.0
   53    55    59    60   0.30150 -1.0 2.0
   53    55    59    64   0.36750  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    59  -0.11250  1.0 3.0
   54    53    71    46   0.15000  1.0 3.0
   54    53    71    65   0.15000  1.0 3.0
   54    53    71    72   0.15000  1.0 3.0
   55    53    71    46   0.56750  1.0 1.0
   55    53    71    46  -0.07550 -1.0 2.0
   55    53    71    46   0.20000  1.0 3.0
   55    53    71    65   3.97050  1.0 1.0
   55    53    71    72   0.15000  1.0 3.0
   55    57   -61    65   0.06250  1.0 1.0
   55    57   -61    65  -0.01100 -1.0 2.0
   55    57   -61    65   0.28050  1.0 3.0
   55    57    62    63  -0.11600  1.0 1.0
   55    57    62    63  -0.09450 -1.0 2.0
   55    57    62    63   0.21250  1.0 3.0
   55    59    64    67   1.63150  1.0 1.0
   55    59    64    67   2.92000 -1.0 2.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    57    62   0.23400  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    64   0.00000  1.0 1.0
   57    55    59    60   0.30150 -1.0 2.0
   57    55    59    64   0.36750  1.0 3.0
   57    61    65    66   0.37050  1.0 3.0
   57    61    65    71   0.06250  1.0 1.0
   57    61    65    71  -0.01100 -1.0 2.0
   57    61    65    71   0.28050  1.0 3.0
   57    61    65    73  -0.53350  1.0 1.0
   57    61    65    73  -0.78350 -1.0 2.0
   57    61    65    73   0.33750  1.0 3.0
   58    57    61    65   0.37050  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   61    57    62    63  -0.50000  1.0 1.0
   61    57    62    63  -0.73950 -1.0 2.0
   61    57    62    63   0.17150  1.0 3.0
   61    65    71    46   0.62750  1.0 1.0
   61    65    71    46  -0.30950 -1.0 2.0
   61    65    71    46   0.27300  1.0 3.0
   61    65   -71    53   0.62750  1.0 1.0
   61    65   -71    53  -0.30950 -1.0 2.0
   61    65   -71    53   0.27300  1.0 3.0
   61    65    71    72   0.23400  1.0 3.0
   61    65    73    49  -0.53350  1.0 1.0
   61    65    73    49  -0.78350 -1.0 2.0
   61    65    73    49   0.33750  1.0 3.0
   65    73    49    38  -0.77900  1.0 1.0
   65    73    49    38  -0.36900 -1.0 2.0
   65    73    49    38   0.40400  1.0 3.0
   65    73   -49    46   0.06250  1.0 1.0
   65    73   -49    46  -0.01100 -1.0 2.0
   65    73   -49    46   0.28050  1.0 3.0
   65    73    49    50   0.37050  1.0 3.0
   66    65    71    46   0.15000  1.0 3.0
   66    65    71    53   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    73    49   0.37050  1.0 3.0
   71    46    47    48   0.00000  1.0 1.0
   71    46   -47    51   0.09850  1.0 1.0
   71    46   -47    51   0.15250 -1.0 2.0
   71    46   -47    51  -0.50650  1.0 3.0
   71    46    49    38   0.34400  1.0 1.0
   71    46    49    38   0.09450 -1.0 2.0
   71    46    49    38   0.11100  1.0 3.0
   71    46   -49    73   0.62750  1.0 1.0
   71    46   -49    73  -0.30950 -1.0 2.0
   71    46   -49    73   0.27300  1.0 3.0
   71    46    49    50   0.15000  1.0 3.0
   71    53    55    56   0.15000  1.0 3.0
   71    53   -55    57   3.97050  1.0 1.0
   71    53    55    59  -0.95700  1.0 1.0
   71    53    55    59  -0.18200 -1.0 2.0
   71    53    55    59   0.29450  1.0 3.0
   71    65   -73    49   0.06250  1.0 1.0
   71    65   -73    49  -0.01100 -1.0 2.0
   71    65   -73    49   0.28050  1.0 3.0
   73    65   -71    46   0.62750  1.0 1.0
   73    65   -71    46  -0.30950 -1.0 2.0
   73    65   -71    46   0.27300  1.0 3.0
   73    65    71    53   0.62750  1.0 1.0
   73    65    71    53  -0.30950 -1.0 2.0
   73    65    71    53   0.27300  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   49    38    43    44   7.00000 -1.0 2.0
   49    38   -43    45   7.00000 -1.0 2.0
   49    46    47    48   0.00000  1.0 1.0
   49    46    47    51   0.09850  1.0 1.0
   49    46    47    51   0.15250 -1.0 2.0
   49    46    47    51  -0.50650  1.0 3.0
   49    46    71    53   0.56750  1.0 1.0
   49    46    71    53  -0.07550 -1.0 2.0
   49    46    71    53   0.20000  1.0 3.0
   49    46   -71    65   3.97050  1.0 1.0
   49    46    71    72   0.15000  1.0 3.0
   62    57    61    65  -0.70900  1.0 1.0
   62    57    61    65  -1.18000 -1.0 2.0
   62    57    61    65   0.91650  1.0 3.0
   59    55    57    58  -0.11250  1.0 3.0
   59    55    57    61  -0.09450  1.0 1.0
   59    55    57    61  -1.12950 -1.0 2.0
   59    55    57    61   0.54000  1.0 3.0
   59    55    57    62  -0.09450  1.0 1.0
   59    55    57    62  -1.12950 -1.0 2.0
   59    55    57    62   0.54000  1.0 3.0
   59    64    67    68   0.08050  1.0 3.0
   59    64    67    69   0.08050  1.0 3.0
   59    64    67    70   0.08050  1.0 3.0
   60    59    64    67   3.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    49   0.46850  1.0 1.0
   39    33    38    49   0.08550 -1.0 2.0
   39    33    38    49   0.09800  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    49    38    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   46    48    47    51   1.10000 -1.0 2.0
   53    52    51    47   1.10000 -1.0 2.0
   55    64    59    60  10.50000 -1.0 2.0
END
