* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    129    201     371
    1     0 S   NP   _N1_     1    28.21348    97.97876   -20.98614
    2     1 S   H    _HN1     2     1.02957    66.31876    -8.03612
    3     1 S   H    _H1_     3     1.02836    47.15658   139.47265
    4     1 S   H    _H2_     4     1.02777    98.82944  -114.27243
    5     1 S   CT   _CA1     5     1.50153   147.40787    83.12247
    6     5 S   HC   _HA1     6     1.09578   105.17683    99.92439
    7     5 S   CO3  _C1_     7     1.53761   112.33001   -20.19009
    8     7 S   O2Z  _O11     8     1.26369   114.98112   -44.00815
    9     7 S   O2Z  _O12     9     1.26231   114.91960   134.90641
   10     5 S   CT   _CB1    10     1.53080   107.39695  -142.22323
   11    10 S   HC   HB11    11     1.09833   109.24237   -50.41596
   12    10 S   HC   HB12    12     1.09815   110.46776    66.10786
   13    10 S   CT   _CG1    13     1.53047   112.73318  -171.46742
   14    13 S   HC   HG11    14     1.09587   110.54605   -66.22568
   15    13 S   HC   HG12    15     1.09664   109.87026    53.00274
   16    13 S   C    _CD1    16     1.51863   112.19579   173.31288
   17    16 S   O    _OE1    17     1.22778   123.24495     3.82346
   18    16 S   N    _N2_    18     1.38573   111.84469  -176.08573
   19    18 S   H    _HN2    19     1.01568   119.12733     3.20430
   20    18 S   CT1  _CA2    20     1.45810   122.70516   177.10727
   21    20 S   HC   _HA2    21     1.09745   108.83246    26.92589
   22    20 S   C    _C2_    22     1.52995   107.05151   -89.99608
   23    22 S   O    _O2_    23     1.22969   123.11651   -26.78470
   24    20 S   CT   _CB2    32     1.53383   112.44650   150.21343
   25    24 S   HC   HB21    33     1.09453   109.61247    53.88754
   26    24 S   HC   HB22    34     1.09270   109.40379   172.25048
   27    22 S   N    _N3_    24     1.38509   112.48837   155.95489
   28    27 S   H    _HN3    25     1.01651   120.33412    -2.33297
   29    24 S   S    _SG2    35     1.82873   110.65854   -67.26242
   30    27 S   CT   _CA3    26     1.45343   122.54506   178.47582
   31    30 S   HC   HA31    27     1.09569   107.85666   -54.83782
   32    30 S   HC   HA32    28     1.09564   107.58281    61.52314
   33    29 S   CT   _C9_    36     1.86815   102.28288  -177.91681
   34    30 S   CO3  _C3_    29     1.52901   114.26175  -176.74214
   35    34 S   O2Z  _O31    30     1.26344   116.04343     0.47354
   36    34 S   O2Z  _O32    31     1.26433   114.41916  -179.57067
   37    33 S   CM   _C10    37     1.52407   106.46809   174.39094
   38    33 S   S    _S1_    59     1.82950   110.17562   -60.66627
   39    37 S   N4   _N4_    38     1.35799   107.94293   -97.79991
   40    37 S   CMA  _C11    56     1.51192   126.03363    91.37924
   41    40 S   OM   _O33    57     1.26317   121.28842   112.86324
   42    40 S   OM   _O34    58     1.26257   120.33146   -67.20011
   43    38 S   CM   _C13    60     1.73015   103.95860  -175.66532
   44    43 S   HC   _H11    61     1.08500   118.82975     8.43540
   45    39 S   C4   _C12    39     1.34426   137.90137  -140.05875
   46    45 S   O    _O35    40     1.20852   134.62914   -34.20452
   47    39 S   C4T  _C7_    43     1.45069   114.62530     0.80770
   48    47 S   HC   _H5_    44     1.09926   111.20274    98.04450
   49    43 S   CM   _C14    62     1.33859   121.42583  -172.35248
   50    49 S   HC   _H12    63     1.08580   121.94296     0.67609
   51    45 S   C4T  _C6_    41     1.56797    89.42747   140.05847
   52    51 S   HC   _H4_    42     1.09894   111.82473   115.65463
   53    33 S   CT   _C8_    45     1.56496   111.49733    64.73734
   54    53 S   HC   _H9_    46     1.09261   114.26520   -38.96114
   55    53 S   HC   _H10    47     1.09523   111.81761  -159.75608
   56    49 S   N    _N5_    64     1.37286   121.96915  -179.06623
   57    56 S   H    _H13    65     1.01676   117.39634     0.94915
   58    51 S   CT   _C5_    48     1.52214   115.29824  -114.74207
   59    58 S   HC   _H3_    49     1.09555   111.23446    45.86719
   60    56 S   C    _C15    66     1.38654   123.62808  -179.59458
   61    60 S   O    _O36    67     1.22833   126.12985     1.12344
   62    58 S   CT   _C4_    50     1.52196   110.80776   -76.56179
   63    62 S   HC   _H6_    51     1.09582   110.98970   -59.29200
   64    62 S   HC   _H7_    52     1.09527   110.51871  -177.54202
   65    62 S   HC   _H8_    53     1.09383   111.62206    61.59960
   66    58 S   OH   _O37    54     1.42531   107.98530   164.31200
   67    66 S   HO   _H17    55     0.97251   107.50544  -179.27611
   68    60 S   CT   _C16    68     1.50575   112.07351  -179.67555
   69    68 S   HC   _H14    69     1.09379   110.18195    51.70298
   70    68 S   HC   _H15    70     1.09349   109.55714   -68.83137
   71    68 S   HC   _H16    71     1.09352   109.70958   171.35287
  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
  16   2   1   1  14  11  13   5   1   1   7   3  10   4  10   6
   6   3  12   5   3   1   1   7   3   7   6   5   4   5   3   2
   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    47    53    54    55    40    38    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    51    47    48    53    54    55    40    41    42    38    43    44    49  
   35    36  
   36  
    0  
   39    45    46    51    47    48    53    54    55    40    41    42    38    43  
   43    44    49    50    56    39    40    47    53    54    55  
   45    46    51    52    47    48    53    54    55    58    40    41    42  
   41    42    45    47    53  
   42  
    0  
   44    49    50    56    57    60    53  
   49    50    56  
   46    51    52    47    48    53    58    59    62    66  
   51    52    47    58  
   48    53    54    55    58    59    62    66    51    52  
   53    54    55    58    51    52  
   50    56    57    60    61    68  
   56    57    60  
   52    53    54    55    58    59    62    63    64    65    66    67  
   53    58    59    62    66  
   54    55    58  
   55  
    0  
   57    60    61    68    69    70    71  
   60    61    68  
   59    62    63    64    65    66    67  
   62    63    64    65    66    67  
   61    68    69    70    71  
   68    69    70    71  
   63    64    65    66    67  
   64    65    66  
   65    66  
   66  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    45   440.000  1.369
   39    47   305.000  1.456
   45    46   930.000  1.212
   45    51   250.000  1.540
   51    52   340.000  1.090
   51    47   268.000  1.529
   51    58   260.000  1.519
   47    48   340.000  1.090
   47    53   260.000  1.519
   53    54   340.000  1.090
   53    55   340.000  1.090
   58    59   340.000  1.090
   58    62   268.000  1.529
   58    66   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   553.000  0.945
   40    41   745.000  1.250
   40    42   745.000  1.250
   38    43   240.000  1.763
   43    44   340.000  1.080
   43    49   549.000  1.340
   49    50   340.000  1.080
   49    56   400.000  1.384
   56    57   434.000  1.010
   56    60   490.000  1.335
   60    61   570.000  1.229
   60    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    53    47    70.00000  112.98000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    43    85.00000  102.41200
   37    39    45    50.00000  132.10000
   37    39    47    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    42    65.00000  137.10300
   39    45    46    75.00000  131.60000
   39    45    51    95.00000   92.72400
   39    47    51   105.00000   87.49700
   39    47    48    50.00000  112.01000
   39    47    53    80.00000  110.05700
   45    51    52    40.00000  113.37500
   45    51    47   100.00000   86.36000
   45    51    58    63.00000  111.10000
   51    45    46    60.00000  136.58000
   51    47    48    37.50000  110.70000
   51    47    53    65.00000  119.52000
   51    58    59    45.00000  111.22300
   51    58    62    70.00000  112.98000
   51    58    66    50.00000  109.50000
   47    39    45   100.00000   93.00000
   47    51    52    37.50000  110.70000
   47    53    54    45.00000  111.22300
   47    53    55    45.00000  111.22300
   53    33    37    70.00000  112.02700
   53    47    48    45.00000  112.72800
   55    53    54    33.00000  107.80000
   58    51    52    45.00000  112.72800
   58    51    47    65.00000  119.52000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   58    66    67    55.00000  108.50000
   62    58    59    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    58    59    35.00000  109.50000
   66    58    62    50.00000  109.50000
   40    37    39    75.00000  120.83300
   42    40    41    65.00000  121.00000
   38    33    37    75.00000  112.20000
   38    33    53    75.00000  111.63000
   38    43    44    40.00000  115.49800
   38    43    49    65.00000  122.11800
   43    49    50    35.00000  120.00000
   43    49    56    75.00000  120.83300
   49    43    44    35.00000  120.00000
   49    56    57    45.00000  117.55000
   49    56    60    70.00000  120.89900
   56    49    50    45.00000  111.09300
   56    60    61    80.00000  122.90000
   56    60    68    70.00000  116.60000
   60    56    57    35.00000  119.80000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   68    60    61    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    53    47   0.44750  1.0 1.0
   29    33    53    47  -0.17800 -1.0 2.0
   29    33    53    47   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    38    43   0.08500  1.0 1.0
   29    33    38    43  -0.53150 -1.0 2.0
   29    33    38    43   0.48050  1.0 3.0
   33    37    39    45   0.00000  1.0 1.0
   33    37   -39    47   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    42   7.00000 -1.0 2.0
   33    38    43    44   1.00000 -1.0 2.0
   33    38    43    49   1.00000 -1.0 2.0
   37    33   -53    47   0.34400  1.0 1.0
   37    33   -53    47   0.09450 -1.0 2.0
   37    33   -53    47   0.11100  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    43   0.00000  1.0 1.0
   37    39    45    46   3.00000 -1.0 2.0
   37    39    45    51   3.00000 -1.0 2.0
   37    39   -47    51   0.00000  1.0 1.0
   37    39    47    48   0.00000  1.0 1.0
   37    39   -47    53   0.00000  1.0 1.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    42   7.00000 -1.0 2.0
   39    45    51    52   0.00000  1.0 1.0
   39    45   -51    47   3.00000 -1.0 2.0
   39    45    51    58   1.39750  1.0 1.0
   39    45    51    58  -0.07950 -1.0 2.0
   39    45    51    58  -0.18750  1.0 3.0
   39    47   -53    33   0.43900  1.0 1.0
   39    47   -53    33   0.49100 -1.0 2.0
   39    47   -53    33   0.28400  1.0 3.0
   39    47    53    54   0.15000  1.0 3.0
   39    47    53    55   0.15000  1.0 3.0
   45    39   -47    51   0.00000  1.0 1.0
   45    39    47    48   0.00000  1.0 1.0
   45    39    47    53   0.00000  1.0 1.0
   45    51   -47    39   3.00000 -1.0 2.0
   45    51   -47    48   0.15000  1.0 3.0
   45    51   -47    53  -0.95700  1.0 1.0
   45    51   -47    53  -0.18200 -1.0 2.0
   45    51   -47    53   0.29450  1.0 3.0
   45    51    58    59  -0.11250  1.0 3.0
   45    51    58    62  -0.95700  1.0 1.0
   45    51    58    62  -0.18200 -1.0 2.0
   45    51    58    62   0.29450  1.0 3.0
   45    51    58    66  -0.09450  1.0 1.0
   45    51    58    66  -1.12950 -1.0 2.0
   45    51    58    66   0.54000  1.0 3.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    47  -0.11250  1.0 1.0
   46    45    51    47   0.11400 -1.0 2.0
   46    45    51    47  -0.28950  1.0 3.0
   46    45    51    58   0.30150 -1.0 2.0
   51    47    53    33   0.04050  1.0 1.0
   51    47    53    33   0.63700 -1.0 2.0
   51    47    53    33   0.17650  1.0 3.0
   51    47    53    54   0.00000  1.0 1.0
   51    47    53    55   0.00000  1.0 1.0
   51    58    62    63   0.15000  1.0 3.0
   51    58    62    64   0.15000  1.0 3.0
   51    58    62    65   0.15000  1.0 3.0
   51    58    66    67  -0.11600  1.0 1.0
   51    58    66    67  -0.09450 -1.0 2.0
   51    58    66    67   0.21250  1.0 3.0
   52    51   -47    39   0.15000  1.0 3.0
   52    51    47    48   0.15000  1.0 3.0
   52    51    47    53   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   52    51    58    66   0.23400  1.0 3.0
   47    39   -45    46   3.00000 -1.0 2.0
   47    39   -45    51   3.00000 -1.0 2.0
   47    51    58    59   0.00000  1.0 1.0
   47    51    58    62   0.04050  1.0 1.0
   47    51    58    62   0.63700 -1.0 2.0
   47    51    58    62   0.17650  1.0 3.0
   47    51    58    66   0.86500  1.0 1.0
   47    51    58    66  -0.17500 -1.0 2.0
   47    51    58    66   0.20800  1.0 3.0
   48    47    53    33   0.15000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   53    33   -37    39  -0.93550  1.0 1.0
   53    33   -37    39   0.38900 -1.0 2.0
   53    33   -37    39   0.16950  1.0 3.0
   53    33    37    40   0.09850  1.0 1.0
   53    33    37    40   0.15250 -1.0 2.0
   53    33    37    40  -0.50650  1.0 3.0
   53    33    38    43   0.00000  1.0 1.0
   58    51   -47    39   0.43900  1.0 1.0
   58    51   -47    39   0.49100 -1.0 2.0
   58    51   -47    39   0.28400  1.0 3.0
   58    51    47    48   0.15000  1.0 3.0
   58    51    47    53   0.56750  1.0 1.0
   58    51    47    53  -0.07550 -1.0 2.0
   58    51    47    53   0.20000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    58    66    67   0.19450  1.0 3.0
   62    58    66    67  -0.11600  1.0 1.0
   62    58    66    67  -0.09450 -1.0 2.0
   62    58    66    67   0.21250  1.0 3.0
   66    58    62    63   0.23400  1.0 3.0
   66    58    62    64   0.23400  1.0 3.0
   66    58    62    65   0.23400  1.0 3.0
   40    37    39    45   0.00000  1.0 1.0
   40    37    39    47   0.00000  1.0 1.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    53    47   0.44750  1.0 1.0
   38    33    53    47  -0.17800 -1.0 2.0
   38    33    53    47   0.20200  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
   38    43    49    50   7.00000 -1.0 2.0
   38    43    49    56   7.00000 -1.0 2.0
   43    49    56    57   0.78350 -1.0 2.0
   43    49    56    60  -0.18900  1.0 1.0
   43    49    56    60   1.70900 -1.0 2.0
   44    43    49    50   7.00000 -1.0 2.0
   44    43    49    56   7.00000 -1.0 2.0
   49    56    60    61   2.67200 -1.0 2.0
   49    56    60    68   0.67100  1.0 1.0
   49    56    60    68   1.42150 -1.0 2.0
   49    56    60    68   0.18700  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   1.44600  1.0 1.0
   56    60    68    69   0.00000  1.0 1.0
   56    60    68    70   0.00000  1.0 1.0
   56    60    68    71   0.00000  1.0 1.0
   57    56    60    61   2.45000 -1.0 2.0
   57    56    60    68   2.45000 -1.0 2.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    70   0.00000  1.0 1.0
   61    60    68    71   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   47    45    39    37   1.00000 -1.0 2.0
   39    51    45    46  10.50000 -1.0 2.0
   41    42    40    37   1.10000 -1.0 2.0
   38    44    43    49  15.00000 -1.0 2.0
   56    50    49    43  15.00000 -1.0 2.0
   57    60    56    49   1.00000 -1.0 2.0
   56    68    60    61  10.50000 -1.0 2.0
END
