* LIGAND DATABASE FILE (OPLS2005)
*
001      71    71    128    189     376
    1     0 S   NP   _N1_     1    29.27657    94.87716   -24.85489
    2     1 S   H    _HN1     2     1.02957    80.52946     9.24161
    3     1 S   H    _H1_     3     1.02825    26.75148  -178.20017
    4     1 S   H    _H2_     4     1.02784   114.34334   -96.71212
    5     1 S   CT   _CA1     5     1.50123   125.15629   117.58152
    6     5 S   HC   _HA1     6     1.09575   105.19637    84.91149
    7     5 S   CO3  _C1_     7     1.53782   112.47402   -35.27090
    8     7 S   O2Z  _O11     8     1.26363   115.01120   -41.96861
    9     7 S   O2Z  _O12     9     1.26243   114.94239   137.15442
   10     5 S   CT   _CB1    10     1.53070   107.39042  -157.15774
   11    10 S   HC   HB11    11     1.09831   109.29477   -50.24008
   12    10 S   HC   HB12    12     1.09817   110.44660    66.32332
   13    10 S   CT   _CG1    13     1.52990   112.67868  -171.28724
   14    13 S   HC   HG11    14     1.09585   110.55904   -65.82214
   15    13 S   HC   HG12    15     1.09666   109.87539    53.44344
   16    13 S   C    _CD1    16     1.51781   112.24197   173.77824
   17    16 S   O    _OE1    17     1.22730   123.30112     3.39788
   18    16 S   N    _N2_    18     1.38653   111.69089  -176.49061
   19    18 S   H    _HN2    19     1.01585   118.95410     1.69535
   20    18 S   CT1  _CA2    20     1.46114   123.38240   177.61197
   21    20 S   HC   _HA2    21     1.09582   109.32450     2.55535
   22    20 S   C    _C2_    22     1.53569   108.80261  -112.48025
   23    22 S   O    _O2_    23     1.23060   122.26384  -148.46594
   24    20 S   CT   _CB2    32     1.53293   111.65326   125.08965
   25    24 S   HC   HB21    33     1.09665   109.62289    61.88013
   26    24 S   HC   HB22    34     1.09559   110.89080   178.87918
   27    22 S   N    _N3_    24     1.38328   113.72034    38.96143
   28    27 S   H    _HN3    25     1.01578   119.58386    -3.14772
   29    24 S   S    _SG2    35     1.83084   114.99149   -57.96866
   30    27 S   CT   _CA3    26     1.45288   123.22632   177.14261
   31    30 S   HC   HA31    27     1.09547   107.50963   -65.05928
   32    30 S   HC   HA32    28     1.09557   107.99328    51.38967
   33    29 S   CT   _C9_    36     1.83386   100.52674   -59.51331
   34    33 S   HC   _H6_    37     1.09568   106.26712    71.86006
   35    30 S   CO3  _C3_    29     1.52965   114.06163   173.43870
   36    35 S   O2Z  _O31    30     1.26378   116.06126     0.90849
   37    35 S   O2Z  _O32    31     1.26430   114.42510  -179.04019
   38    33 S   CT   _C8_    38     1.54413   111.60206  -170.05056
   39    38 S   HC   _H5_    39     1.09593   109.19136   -60.47719
   40    38 S   CT   _C7_    40     1.54686   108.57367  -179.21740
   41    40 S   HC   _H4_    41     1.09847   108.21810    64.91326
   42    38 S   N    _N4_    64     1.46583   111.79540    58.60163
   43    42 S   H    _H16    65     1.01619   116.86422    56.86159
   44    40 S   CT   _C11    42     1.54028   111.49189   -52.22190
   45    44 S   HC   _H8_    43     1.09645   109.27179   174.54860
   46    40 S   OS   _O35    54     1.43096   112.46801  -174.55702
   47    42 S   C    _C13    66     1.38185   123.70718  -127.88222
   48    47 S   O    _O39    67     1.22760   125.79268     1.68632
   49    44 S   CT   _C10    44     1.53577   109.77549    52.61119
   50    49 S   HC   _H7_    45     1.09806   110.25016    62.65212
   51    44 S   OH   _O37    52     1.43026   109.76877   -68.48077
   52    51 S   HO   _H12    53     0.97203   107.70222  -162.10439
   53    46 S   CT   _C5_    55     1.43167   114.59668   -79.31762
   54    53 S   HC   _H3_    56     1.09510   111.01383    42.55772
   55    47 S   CT   _C14    68     1.50442   112.24820  -177.59084
   56    55 S   HC   _H17    69     1.09346   109.45561    71.42524
   57    55 S   HC   _H18    70     1.09346   109.69514  -168.75228
   58    55 S   HC   _H19    71     1.09380   110.28097   -49.08798
   59    33 S   OS   _O36    46     1.43088   111.33421   -46.28795
   60    49 S   CT   _C12    47     1.52778   112.69172  -175.51708
   61    60 S   HC   _H13    48     1.09476   111.47829    72.59409
   62    60 S   HC   _H14    49     1.09426   111.05009   -50.08771
   63    53 S   CO3  _C6_    57     1.53877   108.92474   -79.94944
   64    63 S   O2Z  _O34    58     1.26330   116.28053   -63.26852
   65    63 S   O2Z  _O33    59     1.26528   114.42288   116.15789
   66    53 S   CT   _C4_    60     1.52063   107.71525   161.63987
   67    66 S   HC   _H9_    61     1.09588   111.71303    53.80184
   68    66 S   HC   _H10    62     1.09453   111.41180   175.36933
   69    66 S   HC   _H11    63     1.09552   110.11934   -64.12648
   70    60 S   OH   _O38    50     1.42523   108.91563  -168.84045
   71    70 S   HO   _H15    51     0.97234   107.12026  -178.13208
  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   8   5   4   3
  14   6   2   1   1  15   8  17   7  10   3  12   7  11   5   4
   9   6   3   1   8   7   3   2   1   1   4   4   3   2   6   2
   1   3   2   1   1   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    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    49    59    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    59    60    46    42    43    47  
   38    39    40    49    59    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    59    51    46    53    42    43    47    48    55  
   40    41    44    59    46    42    43    47  
   41    44    45    49    50    59    60    51    52    46    53    54    63    66    42    43    47  
   44    45    49    51    46    53    42  
   43    47    48    55    56    57    58    44    46    59  
   47    48    55  
   45    49    50    59    60    61    62    70    51    52    46    53  
   49    50    59    60    51    52    46  
   53    54    63    64    65    66    67    68    69    49    51  
   48    55    56    57    58  
   55    56    57    58  
   50    59    60    61    62    70    71    51    52  
   59    60    61    62    70    51  
   52    59    60  
    0  
   54    63    64    65    66    67    68    69  
   63    64    65    66    67    68    69  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    70  
   61    62    70    71  
   62    70    71  
   70    71  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.145000   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   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    59   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   337.000  1.449
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   320.000  1.410
   49    50   340.000  1.090
   49    59   320.000  1.410
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   320.000  1.410
   70    71   553.000  0.945
   51    52   553.000  0.945
   46    53   320.000  1.410
   53    54   340.000  1.090
   53    63   317.000  1.522
   53    66   268.000  1.529
   63    64   656.000  1.250
   63    65   656.000  1.250
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   42    43   434.000  1.010
   42    47   490.000  1.335
   47    48   570.000  1.229
   47    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    59    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    70.00000  110.72300
   33    59    49    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    42    43    38.00000  118.40000
   38    42    47    50.00000  121.90000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    44    51    50.00000  109.50000
   40    46    53    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    59    50.00000  109.50000
   44    49    60    58.35000  112.70000
   44    51    52    55.00000  108.50000
   49    44    45    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    37.50000  110.70000
   49    60    70    50.00000  109.50000
   59    33    34    35.00000  109.50000
   59    33    38    50.00000  109.50000
   59    49    50    35.00000  109.50000
   60    49    50    37.50000  110.70000
   60    49    59    50.00000  109.50000
   60    70    71    55.00000  108.50000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   51    44    45    35.00000  109.50000
   51    44    49    50.00000  109.50000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    53    54    35.00000  109.50000
   46    53    63    85.00000  109.63000
   46    53    66    50.00000  109.50000
   53    63    64    70.00000  117.00000
   53    63    65    70.00000  117.00000
   53    66    67    37.50000  110.70000
   53    66    68    37.50000  110.70000
   53    66    69    37.50000  110.70000
   63    53    54    35.00000  109.50000
   65    63    64    80.00000  126.00000
   66    53    54    37.50000  110.70000
   66    53    63    70.00000  109.69300
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    70.00000  110.72300
   42    47    48    80.00000  122.90000
   42    47    55    70.00000  116.60000
   47    42    43    35.00000  119.80000
   47    55    56    35.00000  109.50000
   47    55    57    35.00000  109.50000
   47    55    58    35.00000  109.50000
   55    47    48    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    59   0.13850  1.0 1.0
   24    29    33    59  -1.34450 -1.0 2.0
   24    29    33    59   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    59    49   0.14700  1.0 1.0
   29    33    59    49  -1.16150 -1.0 2.0
   29    33    59    49   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    46   0.62750  1.0 1.0
   33    38    40    46  -0.30950 -1.0 2.0
   33    38    40    46   0.27300  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    47  -0.43950  1.0 1.0
   33    38    42    47  -0.08100 -1.0 2.0
   33    38    42    47   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    59    49   0.37050  1.0 3.0
   38    33    59    49   0.06250  1.0 1.0
   38    33    59    49  -0.01100 -1.0 2.0
   38    33    59    49   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    49   0.56750  1.0 1.0
   38    40   -44    49  -0.07550 -1.0 2.0
   38    40   -44    49   0.20000  1.0 3.0
   38    40    44    51   0.86500  1.0 1.0
   38    40    44    51  -0.17500 -1.0 2.0
   38    40    44    51   0.20800  1.0 3.0
   38    40    46    53   0.06250  1.0 1.0
   38    40    46    53  -0.01100 -1.0 2.0
   38    40    46    53   0.28050  1.0 3.0
   38    42    47    48   3.04450 -1.0 2.0
   38    42    47    55   1.49850  1.0 1.0
   38    42    47    55   1.53950 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    47  -0.43950  1.0 1.0
   40    38    42    47  -0.08100 -1.0 2.0
   40    38    42    47   0.03350  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    59   0.62750  1.0 1.0
   40    44    49    59  -0.30950 -1.0 2.0
   40    44    49    59   0.27300  1.0 3.0
   40    44    49    60   0.56750  1.0 1.0
   40    44    49    60  -0.07550 -1.0 2.0
   40    44    49    60   0.20000  1.0 3.0
   40    44    51    52  -0.11600  1.0 1.0
   40    44    51    52  -0.09450 -1.0 2.0
   40    44    51    52   0.21250  1.0 3.0
   40    46    53    54   0.37050  1.0 3.0
   40    46    53    63  -1.11000  1.0 1.0
   40    46    53    63   0.50250 -1.0 2.0
   40    46    53    63   0.47450  1.0 3.0
   40    46    53    66   0.06250  1.0 1.0
   40    46    53    66  -0.01100 -1.0 2.0
   40    46    53    66   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51   0.23400  1.0 3.0
   41    40    46    53   0.37050  1.0 3.0
   44    40    46    53   0.06250  1.0 1.0
   44    40    46    53  -0.01100 -1.0 2.0
   44    40    46    53   0.28050  1.0 3.0
   44    49   -59    33   0.06250  1.0 1.0
   44    49   -59    33  -0.01100 -1.0 2.0
   44    49   -59    33   0.28050  1.0 3.0
   44    49    60    61   0.15000  1.0 3.0
   44    49    60    62   0.15000  1.0 3.0
   44    49    60    70   0.86500  1.0 1.0
   44    49    60    70  -0.17500 -1.0 2.0
   44    49    60    70   0.20800  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    59   0.23400  1.0 3.0
   45    44    49    60   0.15000  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   49    44    51    52  -0.11600  1.0 1.0
   49    44    51    52  -0.09450 -1.0 2.0
   49    44    51    52   0.21250  1.0 3.0
   49    60    70    71  -0.11600  1.0 1.0
   49    60    70    71  -0.09450 -1.0 2.0
   49    60    70    71   0.21250  1.0 3.0
   50    49    59    33   0.37050  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    70   0.23400  1.0 3.0
   59    33    38    39   0.23400  1.0 3.0
   59    33   -38    40   0.62750  1.0 1.0
   59    33   -38    40  -0.30950 -1.0 2.0
   59    33   -38    40   0.27300  1.0 3.0
   59    33    38    42   1.12100  1.0 1.0
   59    33    38    42  -0.16500 -1.0 2.0
   59    49    60    61   0.23400  1.0 3.0
   59    49    60    62   0.23400  1.0 3.0
   59    49    60    70   3.69350  1.0 1.0
   59    49    60    70  -1.82950 -1.0 2.0
   60    49    59    33   0.06250  1.0 1.0
   60    49    59    33  -0.01100 -1.0 2.0
   60    49    59    33   0.28050  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   62    60    70    71   0.19450  1.0 3.0
   51    44    49    50   0.23400  1.0 3.0
   51    44    49    59   3.69350  1.0 1.0
   51    44    49    59  -1.82950 -1.0 2.0
   51    44    49    60   0.86500  1.0 1.0
   51    44    49    60  -0.17500 -1.0 2.0
   51    44    49    60   0.20800  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    49   0.62750  1.0 1.0
   46    40    44    49  -0.30950 -1.0 2.0
   46    40    44    49   0.27300  1.0 3.0
   46    40    44    51   3.69350  1.0 1.0
   46    40    44    51  -1.82950 -1.0 2.0
   46    53    63    64   0.30150 -1.0 2.0
   46    53    63    65   0.30150 -1.0 2.0
   46    53    66    67   0.23400  1.0 3.0
   46    53    66    68   0.23400  1.0 3.0
   46    53    66    69   0.23400  1.0 3.0
   54    53    63    64   0.00000  1.0 1.0
   54    53    63    65   0.00000  1.0 1.0
   54    53    66    67   0.15000  1.0 3.0
   54    53    66    68   0.15000  1.0 3.0
   54    53    66    69   0.15000  1.0 3.0
   63    53    66    67  -0.11250  1.0 3.0
   63    53    66    68  -0.11250  1.0 3.0
   63    53    66    69  -0.11250  1.0 3.0
   66    53    63    64   0.41150 -1.0 2.0
   66    53    63    65   0.41150 -1.0 2.0
   42    38    40    41   0.15000  1.0 3.0
   42    38    40    44  -0.27100  1.0 1.0
   42    38    40    44  -0.01700 -1.0 2.0
   42    38    40    44  -0.48600  1.0 3.0
   42    38    40    46   1.12100  1.0 1.0
   42    38    40    46  -0.16500 -1.0 2.0
   42    47    55    56   0.00000  1.0 1.0
   42    47    55    57   0.00000  1.0 1.0
   42    47    55    58   0.00000  1.0 1.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    55   2.45000 -1.0 2.0
   48    47    55    56   0.00000  1.0 1.0
   48    47    55    57   0.00000  1.0 1.0
   48    47    55    58   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
   36    30    35    37  10.50000 -1.0 2.0
   64    53    63    65  10.50000 -1.0 2.0
   43    47    42    38   1.00000 -1.0 2.0
   42    55    47    48  10.50000 -1.0 2.0
END
