* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    227     428
    1     0 S   NP   _N1_     1    29.51493    91.61187   -22.66673
    2     1 S   H    _HN1     2     1.02966    96.93821    38.14662
    3     1 S   H    _H1_     3     1.02826    12.49231  -177.40399
    4     1 S   H    _H2_     4     1.02771   105.23146   -73.06566
    5     1 S   CT   _CA1     5     1.50155   122.18081   157.47115
    6     5 S   HC   _HA1     6     1.09581   105.18672    64.80466
    7     5 S   CO3  _C1_     7     1.53781   112.44832   -55.20237
    8     7 S   O2Z  _O11     8     1.26350   115.01482   -41.19184
    9     7 S   O2Z  _O12     9     1.26255   114.91851   137.85008
   10     5 S   CT   _CB1    10     1.53076   107.35073  -177.42094
   11    10 S   HC   HB11    11     1.09821   109.15098   -51.51331
   12    10 S   HC   HB12    12     1.09817   110.42258    64.92104
   13    10 S   CT   _CG1    13     1.53017   112.81501  -172.75481
   14    13 S   HC   HG11    14     1.09595   110.28771   -65.30478
   15    13 S   HC   HG12    15     1.09641   110.13723    53.95882
   16    13 S   C    _CD1    16     1.51781   112.24882   174.07093
   17    16 S   O    _OE1    17     1.22758   123.19877    -7.73226
   18    16 S   N    _N2_    18     1.38718   111.76584   172.88550
   19    18 S   H    _HN2    19     1.01586   119.15320     0.80867
   20    18 S   CT1  _CA2    20     1.46056   123.11810  -179.02001
   21    20 S   HC   _HA2    21     1.09562   109.09067   -10.79487
   22    20 S   C    _C2_    22     1.53439   108.99584  -125.80936
   23    22 S   O    _O2_    23     1.23036   122.04577  -148.99480
   24    20 S   CT   _CB2    32     1.53565   112.01138   111.48923
   25    24 S   HC   HB21    33     1.09660   109.46473    66.23784
   26    24 S   HC   HB22    34     1.09580   110.71568  -176.65707
   27    22 S   N    _N3_    24     1.38457   113.51161    38.62100
   28    27 S   H    _HN3    25     1.01520   118.90620    -0.91707
   29    24 S   S    _SG2    35     1.82887   115.15234   -53.38393
   30    27 S   CT   _CA3    26     1.45445   123.49764   174.65856
   31    30 S   HC   HA31    27     1.09519   109.27602    23.73221
   32    30 S   HC   HA32    28     1.09494   107.12212   140.77753
   33    29 S   CT   _C18    36     1.82784   100.12654   -66.84757
   34    33 S   HC   _H3_    37     1.09333   106.05160   -69.13766
   35    33 S   HC   _H4_    38     1.09014   109.23706    47.94901
   36    30 S   CO3  _C3_    29     1.52933   113.06063   -99.74339
   37    36 S   O2Z  _O31    30     1.26407   115.40595   -43.96018
   38    36 S   O2Z  _O32    31     1.26351   114.97903   136.93444
   39    33 S   CT   _C12    39     1.53165   111.78856   170.13993
   40    39 S   HC   _H29    40     1.09725   110.57179    50.67331
   41    39 S   CO4  _C6_    41     1.51308   111.66387   -70.60999
   42    41 S   O    _O16    42     1.22199   125.73854    71.65513
   43    41 S   OS   _O17    43     1.36338   110.81098  -107.95286
   44    43 S   CT   _C14    44     1.43595   111.30609    -0.44279
   45    44 S   HC   _H31    45     1.09743   106.55346  -132.15575
   46    44 S   CT   _C8_    46     1.52906   109.11877   110.34003
   47    46 S   HC   _H22    47     1.09954   106.34466    45.38555
   48    46 S   HC   _H23    48     1.09551   111.22334   -67.84870
   49    39 S   CT   _C13    63     1.53627   115.98212   174.08497
   50    49 S   HC   _H30    64     1.10190   105.62758  -151.82011
   51    46 S   CM   _C5_    49     1.51701   116.75896   166.13547
   52    51 S   CM   _C4_    50     1.35100   125.23594    29.52761
   53    51 S   CT   _C16    71     1.51160   112.50049  -150.50535
   54    53 S   HC   _H32    72     1.09542   109.90614   -56.51322
   55    53 S   HC   _H33    73     1.09277   113.77529  -176.62490
   56    53 S   HC   _H34    74     1.09523   110.09109    62.86697
   57    52 S   CT   _C7_    51     1.51623   123.86641  -179.56076
   58    57 S   HC   _H20    52     1.09583   110.29140   -61.75791
   59    57 S   HC   _H21    53     1.09441   112.20079    60.39093
   60    57 S   CT   _C9_    54     1.52314   104.64086  -179.83214
   61    60 S   HC   _H24    55     1.09537   112.11603   151.01046
   62    60 S   HC   _H25    56     1.09830   110.40217   -90.41454
   63    60 S   CT   _C15    57     1.52965   104.43965    28.38679
   64    52 S   CT   _C11    58     1.52295   127.44324     5.39913
   65    64 S   HC   _H28    59     1.10025   108.05326   -92.19089
   66    63 S   CT   _C17    65     1.53245   111.87716    81.99507
   67    66 S   HC   _H35    66     1.09542   111.07439   175.10807
   68    66 S   HC   _H36    67     1.09628   110.41991    57.95155
   69    66 S   HC   _H37    68     1.09417   112.64925   -62.97589
   70    63 S   OH   _O18    69     1.42435   109.55551  -157.61911
   71    70 S   HO   _H40    70     0.97264   107.83034   -61.47401
   72    64 S   CT   _C10    60     1.53362   115.73647    29.65996
   73    72 S   HC   _H26    61     1.09590   109.06004    43.06401
   74    72 S   HC   _H27    62     1.09720   110.01390   159.82890
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  13   7  13   5   4
   9   4  13  18   5   2   1   1  11   6   5  12   5   4  11  10
   5   6   3   2   1   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64    72    73    74    49    50  
   41    42    43    44    72    49    50  
   42    43    44    45    46    72    49    50  
   43    44    49  
   44    45    46    47    48    51    72    49    50  
   45    46    47    48    51    52    64    72    73    74    49    50    53  
   46    47    48    51    72    49    50  
   47    48    51    52    57    64    72    49    50    53    54    55    56  
   48    51    52    49    53  
   51    52    49    53  
   50    51    52    63    64    65    72    73    74  
   64    72    73    74  
   52    57    58    59    60    63    64    65    72    53    54    55    56  
   57    58    59    60    61    62    63    64    65    72    73    74    66    70    53    54    55    56  
   54    55    56    57    64  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    72    66    70  
   59    60    61    62    63    64  
   60    61    62    63    64  
   61    62    63    64    65    72    66    67    68    69    70    71  
   62    63    64    66    70  
   63    64    66    70  
   64    65    72    73    74    66    67    68    69    70    71  
   65    72    73    74    66    67    68    69    70    71  
   72    73    74    66    70  
   67    68    69    70    71    72  
   68    69    70  
   69    70  
   70  
   71    72  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   317.000  1.510
   51    52   549.000  1.340
   51    53   317.000  1.510
   52    57   317.000  1.510
   52    64   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    66   268.000  1.529
   63    70   320.000  1.410
   64    65   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    72    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.02700
   44    49    72    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    70.00000  124.00000
   46    51    53    65.00000  117.92700
   48    46    47    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    35.00000  109.50000
   51    52    57    70.00000  124.00000
   51    52    64    70.00000  124.00000
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    53    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    60    70.00000  112.02700
   52    64    63    70.00000  112.02700
   52    64    65    35.00000  109.50000
   52    64    72    70.00000  112.02700
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    66    58.35000  112.70000
   60    63    70    50.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    72    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   63    70    71    55.00000  108.50000
   64    52    57    65.00000  117.92700
   64    72    73    37.50000  110.70000
   64    72    74    37.50000  110.70000
   64    72    49    58.35000  112.70000
   72    64    65    37.50000  110.70000
   72    49    50    37.50000  110.70000
   74    72    73    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    72    73    37.50000  110.70000
   49    72    74    37.50000  110.70000
   66    63    64    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    63    64    50.00000  109.50000
   70    63    66    50.00000  109.50000
   53    51    52    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    72   0.56750  1.0 1.0
   33    39    49    72  -0.07550 -1.0 2.0
   33    39    49    72   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    72   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    72  -0.95700  1.0 1.0
   41    39    49    72  -0.18200 -1.0 2.0
   41    39    49    72   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.61850  1.0 1.0
   43    44    46    51  -0.22750 -1.0 2.0
   43    44    46    51   0.15300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    72   0.62750  1.0 1.0
   43    44    49    72  -0.30950 -1.0 2.0
   43    44    49    72   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.09850  1.0 1.0
   44    46    51    52   0.15250 -1.0 2.0
   44    46    51    52  -0.50650  1.0 3.0
   44    46    51    53   0.46850  1.0 1.0
   44    46    51    53   0.08550 -1.0 2.0
   44    46    51    53   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    72   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    72   0.56750  1.0 1.0
   46    44    49    72  -0.07550 -1.0 2.0
   46    44    49    72   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    57   7.00000 -1.0 2.0
   46    51    52    64   7.00000 -1.0 2.0
   46    51    53    54   0.34800  1.0 3.0
   46    51    53    55   0.34800  1.0 3.0
   46    51    53    56   0.34800  1.0 3.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    53   0.34800  1.0 3.0
   48    46    51    52   0.00000  1.0 1.0
   48    46    51    53   0.34800  1.0 3.0
   51    52    57    58   0.00000  1.0 1.0
   51    52    57    59   0.00000  1.0 1.0
   51    52    57    60   0.09850  1.0 1.0
   51    52    57    60   0.15250 -1.0 2.0
   51    52    57    60  -0.50650  1.0 3.0
   51    52    64    63   0.09850  1.0 1.0
   51    52    64    63   0.15250 -1.0 2.0
   51    52    64    63  -0.50650  1.0 3.0
   51    52    64    65   0.00000  1.0 1.0
   51    52    64    72   0.09850  1.0 1.0
   51    52    64    72   0.15250 -1.0 2.0
   51    52    64    72  -0.50650  1.0 3.0
   52    51    53    54   0.00000  1.0 1.0
   52    51    53    55   0.00000  1.0 1.0
   52    51    53    56   0.00000  1.0 1.0
   52    57    60    61   0.15000  1.0 3.0
   52    57    60    62   0.15000  1.0 3.0
   52    57   -60    63   0.34400  1.0 1.0
   52    57   -60    63   0.09450 -1.0 2.0
   52    57   -60    63   0.11100  1.0 3.0
   52    64    72    73   0.15000  1.0 3.0
   52    64    72    74   0.15000  1.0 3.0
   52    64    72    49   0.34400  1.0 1.0
   52    64    72    49   0.09450 -1.0 2.0
   52    64    72    49   0.11100  1.0 3.0
   57    52   -64    63   0.46850  1.0 1.0
   57    52   -64    63   0.08550 -1.0 2.0
   57    52   -64    63   0.09800  1.0 3.0
   57    52    64    65   0.34800  1.0 3.0
   57    52    64    72   0.46850  1.0 1.0
   57    52    64    72   0.08550 -1.0 2.0
   57    52    64    72   0.09800  1.0 3.0
   57    60   -63    64   0.56750  1.0 1.0
   57    60   -63    64  -0.07550 -1.0 2.0
   57    60   -63    64   0.20000  1.0 3.0
   57    60    63    66   0.56750  1.0 1.0
   57    60    63    66  -0.07550 -1.0 2.0
   57    60    63    66   0.20000  1.0 3.0
   57    60    63    70   0.86500  1.0 1.0
   57    60    63    70  -0.17500 -1.0 2.0
   57    60    63    70   0.20800  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.15000  1.0 3.0
   60    63   -64    52   0.34400  1.0 1.0
   60    63   -64    52   0.09450 -1.0 2.0
   60    63   -64    52   0.11100  1.0 3.0
   60    63    64    65   0.15000  1.0 3.0
   60    63    64    72   0.56750  1.0 1.0
   60    63    64    72  -0.07550 -1.0 2.0
   60    63    64    72   0.20000  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    68   0.15000  1.0 3.0
   60    63    66    69   0.15000  1.0 3.0
   60    63    70    71  -0.11600  1.0 1.0
   60    63    70    71  -0.09450 -1.0 2.0
   60    63    70    71   0.21250  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   62    60    63    70   0.23400  1.0 3.0
   63    64    72    73   0.15000  1.0 3.0
   63    64    72    74   0.15000  1.0 3.0
   63    64    72    49   0.56750  1.0 1.0
   63    64    72    49  -0.07550 -1.0 2.0
   63    64    72    49   0.20000  1.0 3.0
   64    52    57    58   0.34800  1.0 3.0
   64    52    57    59   0.34800  1.0 3.0
   64    52   -57    60   0.46850  1.0 1.0
   64    52   -57    60   0.08550 -1.0 2.0
   64    52   -57    60   0.09800  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    70    71  -0.11600  1.0 1.0
   64    63    70    71  -0.09450 -1.0 2.0
   64    63    70    71   0.21250  1.0 3.0
   64    72    49    39   0.56750  1.0 1.0
   64    72    49    39  -0.07550 -1.0 2.0
   64    72    49    39   0.20000  1.0 3.0
   64    72    49    44   0.56750  1.0 1.0
   64    72    49    44  -0.07550 -1.0 2.0
   64    72    49    44   0.20000  1.0 3.0
   64    72    49    50   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    74   0.15000  1.0 3.0
   65    64    72    49   0.15000  1.0 3.0
   73    72    49    39   0.15000  1.0 3.0
   73    72    49    44   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   74    72    49    39   0.15000  1.0 3.0
   74    72    49    44   0.15000  1.0 3.0
   74    72    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.34400  1.0 1.0
   49    44    46    51   0.09450 -1.0 2.0
   49    44    46    51   0.11100  1.0 3.0
   66    63    64    52   0.34400  1.0 1.0
   66    63    64    52   0.09450 -1.0 2.0
   66    63    64    52   0.11100  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    72   0.56750  1.0 1.0
   66    63    64    72  -0.07550 -1.0 2.0
   66    63    64    72   0.20000  1.0 3.0
   66    63    70    71  -0.11600  1.0 1.0
   66    63    70    71  -0.09450 -1.0 2.0
   66    63    70    71   0.21250  1.0 3.0
   70    63    64    52   1.05650  1.0 1.0
   70    63    64    52   0.15600 -1.0 2.0
   70    63    64    52   0.53150  1.0 3.0
   70    63    64    65   0.23400  1.0 3.0
   70    63    64    72   0.86500  1.0 1.0
   70    63    64    72  -0.17500 -1.0 2.0
   70    63    64    72   0.20800  1.0 3.0
   70    63    66    67   0.23400  1.0 3.0
   70    63    66    68   0.23400  1.0 3.0
   70    63    66    69   0.23400  1.0 3.0
   53    51    52    57   7.00000 -1.0 2.0
   53    51    52    64   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    53    51    52   1.10000 -1.0 2.0
   57    64    52    51   1.10000 -1.0 2.0
END
