* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    148    240     444
    1     0 S   NP   _N1_     1    28.68056    95.64023   -22.81383
    2     1 S   H    _HN1     2     1.02782    99.79375   -92.59152
    3     1 S   H    _H1_     3     1.02951    78.87891    14.37028
    4     1 S   H    _H2_     4     1.02829    34.09776   159.88636
    5     1 S   CT   _CA1     5     1.50112   140.53063   123.03988
    6     5 S   HC   _HA1     6     1.09573   105.21208    80.30248
    7     5 S   CO3  _C1_     7     1.53793   112.42923   -39.94427
    8     7 S   O2Z  _O11     8     1.26370   115.00680   -43.14164
    9     7 S   O2Z  _O12     9     1.26239   114.94713   136.00938
   10     5 S   CT   _CB1    10     1.53085   107.42424  -161.72063
   11    10 S   HC   HB11    11     1.09830   109.38866   -49.91402
   12    10 S   HC   HB12    12     1.09814   110.43501    66.69135
   13    10 S   CT   _CG1    13     1.52985   112.60253  -170.91537
   14    13 S   HC   HG11    14     1.09587   110.57818   -64.78111
   15    13 S   HC   HG12    15     1.09667   109.84297    54.44813
   16    13 S   C    _CD1    16     1.51797   112.27997   174.89032
   17    16 S   O    _OE1    17     1.22728   123.30668     4.33612
   18    16 S   N    _N2_    18     1.38650   111.63110  -175.75536
   19    18 S   H    _HN2    19     1.01583   118.95822     1.74001
   20    18 S   CT1  _CA2    20     1.46187   123.37749   178.24275
   21    20 S   HC   _HA2    21     1.09740   109.38003    -0.12667
   22    20 S   C    _C2_    22     1.53515   108.57016  -115.60677
   23    22 S   O    _O2_    23     1.23054   122.29778  -148.02739
   24    20 S   CT   _CB2    32     1.53484   111.64724   121.86052
   25    24 S   HC   HB21    33     1.09473   109.50386    56.18974
   26    24 S   HC   HB22    34     1.09330   109.68005   174.89808
   27    22 S   N    _N3_    24     1.38333   113.65503    39.43034
   28    27 S   H    _HN3    25     1.01602   119.56479    -3.44821
   29    24 S   S    _SG2    35     1.83072   111.09107   -64.20394
   30    27 S   CT   _CA3    26     1.45288   123.17517   177.05536
   31    30 S   HC   HA31    27     1.09550   107.51621   -64.26810
   32    30 S   HC   HA32    28     1.09557   107.96840    52.15620
   33    29 S   CT   _C10    36     1.86994   102.52347  -168.50280
   34    30 S   CO3  _C3_    29     1.52950   114.10760   174.14857
   35    34 S   O2Z  _O31    30     1.26373   116.06514    -0.69998
   36    34 S   O2Z  _O32    31     1.26430   114.41060   179.36112
   37    33 S   CT   _C9_    37     1.55517   107.32077    66.24709
   38    37 S   HC   _H13    38     1.09555   114.52773    -2.93892
   39    37 S   HC   _H14    39     1.09376   111.55613  -122.67331
   40    33 S   CT   _C11    50     1.61472   117.54244  -178.79050
   41    37 S   CT   _C8_    40     1.54715   106.90433   118.24753
   42    41 S   HC   _H4_    41     1.09667   109.70979   155.61390
   43    40 S   CT   _C15    51     1.53267   105.94550   100.18596
   44    43 S   HC   _H21    52     1.09253   113.18528   -86.18775
   45    43 S   HC   _H22    53     1.09222   113.11210   148.38582
   46    41 S   CT   _C12    62     1.53844   103.34792    36.11526
   47    41 S   CT   _C7_    42     1.54252   111.54885   -84.23175
   48    47 S   HC   _H11    43     1.09743   109.70456   -56.71460
   49    47 S   HC   _H12    44     1.09717   108.55988  -170.74921
   50    43 S   CO4  _C16    54     1.50226   102.87529    28.21375
   51    50 S   O    _O33    55     1.22503   123.38149   153.39759
   52    46 S   CT   _C13    63     1.54909   110.26638    72.97465
   53    52 S   HC   _H15    64     1.09525   111.53346  -176.89486
   54    52 S   HC   _H16    65     1.09752   110.51177    64.38509
   55    52 S   HC   _H17    66     1.08374   114.14628   -54.11156
   56    46 S   CT   _C14    67     1.55091   113.37826  -172.08384
   57    56 S   HC   _H18    68     1.09577   110.59955   171.91204
   58    56 S   HC   _H19    69     1.09156   115.02191    49.90135
   59    56 S   HC   _H20    70     1.09712   110.73526   -69.05422
   60    47 S   CT   _C6_    45     1.53758   115.82883    67.05943
   61    60 S   HC   _H9_    46     1.09827   108.51011   148.76295
   62    60 S   HC   _H10    47     1.09405   108.50249   -98.64807
   63    33 S   CT   _C17    56     1.56708   105.22614   -61.42462
   64    63 S   HC   _H5_    57     1.09978   110.20843   -17.67212
   65    60 S   CT   _C5_    48     1.54659   115.46683    26.10414
   66    65 S   HC   _H3_    49     1.09587   106.27693    82.63881
   67    63 S   CT   _C18    58     1.52214   119.28644   105.77554
   68    67 S   HC   _H23    59     1.09074   113.51975    72.11472
   69    67 S   HC   _H24    60     1.09293   111.80714   -50.79112
   70    67 S   HC   _H25    61     1.09655   109.74050  -169.62709
   71    65 S   CT   _C4_    71     1.53609   111.41824  -168.45489
   72    71 S   HC   _H6_    72     1.08785   114.45825    75.66562
   73    71 S   HC   _H7_    73     1.09637   110.09659   -45.13285
   74    71 S   HC   _H8_    74     1.09496   110.81157  -162.52352
  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  13   5   4   3
  25   2   1   1  18   7   6  29  19   7  14   6   5  17  10   5
   4   8   3   8   3   2   1   4   2   1   1   8   4   3   6   4
   5   4   3   2   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    40    63    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    65    40    43    50    63    64    67    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    60    65    66    40    43    44    45    50    51    63    64    67    68    69    70    46    52    56    71  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    60    65    40    43    50    63    64    67    46    52    56  
   39    41    42    47    40    63    46  
   41    42    47    40    63    46  
   43    44    45    50    51    63    64    67    46    52    53    54    55    56    57    58    59    71    72    73    74    41    42    47    60    61    62    65    66  
   42    47    48    49    60    61    62    65    43    63    46    52    53    54    55    56    57    58    59  
   47    48    49    60    46    52    56  
   44    45    50    51    63    64    67    46    52    56    71    60    65    66  
   45    50    51    63    46    65  
   50    51    63    46    65  
   52    53    54    55    56    57    58    59    71    47    48    49    50    60    63    65    66  
   48    49    60    61    62    65    66    52    56    71  
   49    60    61    62    65  
   60    61    62    65  
   51    63    64    67    68    69    70    65  
   63    64    67  
   53    54    55    56    57    58    59    65  
   54    55    56  
   55    56  
   56  
   57    58    59    65  
   58    59  
   59  
    0  
   61    62    65    66    71    72    73    74  
   62    65    66    71  
   65    66    71  
   64    67    68    69    70    65  
   67    68    69    70  
   66    71    72    73    74  
   71    72    73    74  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   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    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   268.000  1.529
   33    40   268.000  1.529
   33    63   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   268.000  1.529
   41    42   340.000  1.090
   41    47   268.000  1.529
   41    46   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    71   268.000  1.529
   40    43   268.000  1.529
   40    46   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.522
   50    51   570.000  1.229
   50    63   317.000  1.522
   63    64   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    52   268.000  1.529
   46    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    63    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    46    58.35000  112.70000
   33    63    50    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    67    58.35000  112.70000
   37    41    42    37.50000  110.70000
   37    41    47    58.35000  112.70000
   37    41    46    58.35000  112.70000
   39    37    38    33.00000  107.80000
   41    37    38    37.50000  110.70000
   41    37    39    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    60    58.35000  112.70000
   41    46    40    58.35000  112.70000
   41    46    52    58.35000  112.70000
   41    46    56    58.35000  112.70000
   47    41    42    37.50000  110.70000
   47    60    61    37.50000  110.70000
   47    60    62    37.50000  110.70000
   47    60    65    58.35000  112.70000
   49    47    48    33.00000  107.80000
   60    47    48    37.50000  110.70000
   60    47    49    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    40    58.35000  112.70000
   60    65    71    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    40    43    58.35000  112.70000
   65    40    46    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    74    37.50000  110.70000
   40    33    37    58.35000  112.70000
   40    65    66    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    50    63.00000  111.10000
   40    46    52    58.35000  112.70000
   40    46    56    58.35000  112.70000
   43    50    51    80.00000  120.40000
   43    50    63    70.00000  116.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    63    64    35.00000  109.50000
   50    63    67    63.00000  111.10000
   63    33    37    58.35000  112.70000
   63    33    40    58.35000  112.70000
   63    50    51    80.00000  120.40000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   67    63    64    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    47    58.35000  112.70000
   46    40    43    58.35000  112.70000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    37.50000  110.70000
   46    56    57    37.50000  110.70000
   46    56    58    37.50000  110.70000
   46    56    59    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    46    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    40    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.44750  1.0 1.0
   29    33    37    41  -0.17800 -1.0 2.0
   29    33    37    41   0.20200  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   29    33    63    50   0.56750  1.0 1.0
   29    33    63    50  -0.07550 -1.0 2.0
   29    33    63    50   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    67   0.44750  1.0 1.0
   29    33    63    67  -0.17800 -1.0 2.0
   29    33    63    67   0.20200  1.0 3.0
   33    37    41    42   0.15000  1.0 3.0
   33    37    41    47   0.56750  1.0 1.0
   33    37    41    47  -0.07550 -1.0 2.0
   33    37    41    47   0.20000  1.0 3.0
   33    37   -41    46   0.56750  1.0 1.0
   33    37   -41    46  -0.07550 -1.0 2.0
   33    37   -41    46   0.20000  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40   -43    50  -0.95700  1.0 1.0
   33    40   -43    50  -0.18200 -1.0 2.0
   33    40   -43    50   0.29450  1.0 3.0
   33    40   -46    41   0.56750  1.0 1.0
   33    40   -46    41  -0.07550 -1.0 2.0
   33    40   -46    41   0.20000  1.0 3.0
   33    40    46    52   0.56750  1.0 1.0
   33    40    46    52  -0.07550 -1.0 2.0
   33    40    46    52   0.20000  1.0 3.0
   33    40    46    56   0.56750  1.0 1.0
   33    40    46    56  -0.07550 -1.0 2.0
   33    40    46    56   0.20000  1.0 3.0
   33    63    67    68   0.15000  1.0 3.0
   33    63    67    69   0.15000  1.0 3.0
   33    63    67    70   0.15000  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    43   0.56750  1.0 1.0
   37    33    40    43  -0.07550 -1.0 2.0
   37    33    40    43   0.20000  1.0 3.0
   37    33   -40    46   0.56750  1.0 1.0
   37    33   -40    46  -0.07550 -1.0 2.0
   37    33   -40    46   0.20000  1.0 3.0
   37    33    63    50  -0.95700  1.0 1.0
   37    33    63    50  -0.18200 -1.0 2.0
   37    33    63    50   0.29450  1.0 3.0
   37    33    63    64   0.15000  1.0 3.0
   37    33    63    67   0.56750  1.0 1.0
   37    33    63    67  -0.07550 -1.0 2.0
   37    33    63    67   0.20000  1.0 3.0
   37    41    47    48   0.15000  1.0 3.0
   37    41    47    49   0.15000  1.0 3.0
   37    41    47    60   0.56750  1.0 1.0
   37    41    47    60  -0.07550 -1.0 2.0
   37    41    47    60   0.20000  1.0 3.0
   37    41   -46    40   0.56750  1.0 1.0
   37    41   -46    40  -0.07550 -1.0 2.0
   37    41   -46    40   0.20000  1.0 3.0
   37    41    46    52   0.56750  1.0 1.0
   37    41    46    52  -0.07550 -1.0 2.0
   37    41    46    52   0.20000  1.0 3.0
   37    41    46    56   0.56750  1.0 1.0
   37    41    46    56  -0.07550 -1.0 2.0
   37    41    46    56   0.20000  1.0 3.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    47   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    47   0.15000  1.0 3.0
   39    37    41    46   0.15000  1.0 3.0
   41    47    60    61   0.15000  1.0 3.0
   41    47    60    62   0.15000  1.0 3.0
   41    47    60    65   0.56750  1.0 1.0
   41    47    60    65  -0.07550 -1.0 2.0
   41    47    60    65   0.20000  1.0 3.0
   41    46    52    53   0.15000  1.0 3.0
   41    46    52    54   0.15000  1.0 3.0
   41    46    52    55   0.15000  1.0 3.0
   41    46    56    57   0.15000  1.0 3.0
   41    46    56    58   0.15000  1.0 3.0
   41    46    56    59   0.15000  1.0 3.0
   42    41    47    48   0.15000  1.0 3.0
   42    41    47    49   0.15000  1.0 3.0
   42    41    47    60   0.15000  1.0 3.0
   42    41    46    40   0.15000  1.0 3.0
   42    41    46    52   0.15000  1.0 3.0
   42    41    46    56   0.15000  1.0 3.0
   47    41    46    40   0.56750  1.0 1.0
   47    41    46    40  -0.07550 -1.0 2.0
   47    41    46    40   0.20000  1.0 3.0
   47    41    46    52   0.56750  1.0 1.0
   47    41    46    52  -0.07550 -1.0 2.0
   47    41    46    52   0.20000  1.0 3.0
   47    41    46    56   0.56750  1.0 1.0
   47    41    46    56  -0.07550 -1.0 2.0
   47    41    46    56   0.20000  1.0 3.0
   47    60    65    66   0.15000  1.0 3.0
   47    60   -65    40   0.56750  1.0 1.0
   47    60   -65    40  -0.07550 -1.0 2.0
   47    60   -65    40   0.20000  1.0 3.0
   47    60    65    71   0.56750  1.0 1.0
   47    60    65    71  -0.07550 -1.0 2.0
   47    60    65    71   0.20000  1.0 3.0
   48    47    60    61   0.15000  1.0 3.0
   48    47    60    62   0.15000  1.0 3.0
   48    47    60    65   0.15000  1.0 3.0
   49    47    60    61   0.15000  1.0 3.0
   49    47    60    62   0.15000  1.0 3.0
   49    47    60    65   0.15000  1.0 3.0
   60    65    40    33   0.56750  1.0 1.0
   60    65    40    33  -0.07550 -1.0 2.0
   60    65    40    33   0.20000  1.0 3.0
   60    65    40    43   0.56750  1.0 1.0
   60    65    40    43  -0.07550 -1.0 2.0
   60    65    40    43   0.20000  1.0 3.0
   60    65    40    46   0.56750  1.0 1.0
   60    65    40    46  -0.07550 -1.0 2.0
   60    65    40    46   0.20000  1.0 3.0
   60    65    71    72   0.15000  1.0 3.0
   60    65    71    73   0.15000  1.0 3.0
   60    65    71    74   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    71   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    40   0.15000  1.0 3.0
   62    60    65    71   0.15000  1.0 3.0
   65    40    43    44   0.15000  1.0 3.0
   65    40    43    45   0.15000  1.0 3.0
   65    40    43    50  -0.95700  1.0 1.0
   65    40    43    50  -0.18200 -1.0 2.0
   65    40    43    50   0.29450  1.0 3.0
   65    40   -46    41   0.56750  1.0 1.0
   65    40   -46    41  -0.07550 -1.0 2.0
   65    40   -46    41   0.20000  1.0 3.0
   65    40    46    52   0.56750  1.0 1.0
   65    40    46    52  -0.07550 -1.0 2.0
   65    40    46    52   0.20000  1.0 3.0
   65    40    46    56   0.56750  1.0 1.0
   65    40    46    56  -0.07550 -1.0 2.0
   65    40    46    56   0.20000  1.0 3.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    43   0.15000  1.0 3.0
   66    65    40    46   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    74   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    41   0.56750  1.0 1.0
   40    33   -37    41  -0.07550 -1.0 2.0
   40    33   -37    41   0.20000  1.0 3.0
   40    33   -63    50  -0.95700  1.0 1.0
   40    33   -63    50  -0.18200 -1.0 2.0
   40    33   -63    50   0.29450  1.0 3.0
   40    33    63    64   0.15000  1.0 3.0
   40    33    63    67   0.56750  1.0 1.0
   40    33    63    67  -0.07550 -1.0 2.0
   40    33    63    67   0.20000  1.0 3.0
   40    65    71    72   0.15000  1.0 3.0
   40    65    71    73   0.15000  1.0 3.0
   40    65    71    74   0.15000  1.0 3.0
   40    43    50    51   0.30150 -1.0 2.0
   40    43   -50    63   0.60050  1.0 1.0
   40    43   -50    63   0.05600 -1.0 2.0
   40    43   -50    63   0.26150  1.0 3.0
   40    46    52    53   0.15000  1.0 3.0
   40    46    52    54   0.15000  1.0 3.0
   40    46    52    55   0.15000  1.0 3.0
   40    46    56    57   0.15000  1.0 3.0
   40    46    56    58   0.15000  1.0 3.0
   40    46    56    59   0.15000  1.0 3.0
   43    40    46    41   0.56750  1.0 1.0
   43    40    46    41  -0.07550 -1.0 2.0
   43    40    46    41   0.20000  1.0 3.0
   43    40    46    52   0.56750  1.0 1.0
   43    40    46    52  -0.07550 -1.0 2.0
   43    40    46    52   0.20000  1.0 3.0
   43    40    46    56   0.56750  1.0 1.0
   43    40    46    56  -0.07550 -1.0 2.0
   43    40    46    56   0.20000  1.0 3.0
   43    50   -63    33   0.60050  1.0 1.0
   43    50   -63    33   0.05600 -1.0 2.0
   43    50   -63    33   0.26150  1.0 3.0
   43    50    63    64   0.00000  1.0 1.0
   43    50    63    67   0.60050  1.0 1.0
   43    50    63    67   0.05600 -1.0 2.0
   43    50    63    67   0.26150  1.0 3.0
   44    43    50    51   0.00000  1.0 1.0
   44    43    50    63   0.00000  1.0 1.0
   45    43    50    51   0.00000  1.0 1.0
   45    43    50    63   0.00000  1.0 1.0
   50    63    67    68  -0.11250  1.0 3.0
   50    63    67    69  -0.11250  1.0 3.0
   50    63    67    70  -0.11250  1.0 3.0
   51    50    63    33   0.30150 -1.0 2.0
   51    50    63    64   0.00000  1.0 1.0
   51    50    63    67   0.30150 -1.0 2.0
   63    33    37    38   0.15000  1.0 3.0
   63    33    37    39   0.15000  1.0 3.0
   63    33    37    41   0.56750  1.0 1.0
   63    33    37    41  -0.07550 -1.0 2.0
   63    33    37    41   0.20000  1.0 3.0
   63    33    40    65   0.56750  1.0 1.0
   63    33    40    65  -0.07550 -1.0 2.0
   63    33    40    65   0.20000  1.0 3.0
   63    33   -40    43   0.56750  1.0 1.0
   63    33   -40    43  -0.07550 -1.0 2.0
   63    33   -40    43   0.20000  1.0 3.0
   63    33    40    46   0.56750  1.0 1.0
   63    33    40    46  -0.07550 -1.0 2.0
   63    33    40    46   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   46    41    47    48   0.15000  1.0 3.0
   46    41    47    49   0.15000  1.0 3.0
   46    41   -47    60   0.56750  1.0 1.0
   46    41   -47    60  -0.07550 -1.0 2.0
   46    41   -47    60   0.20000  1.0 3.0
   46    40    43    44   0.15000  1.0 3.0
   46    40    43    45   0.15000  1.0 3.0
   46    40    43    50  -0.95700  1.0 1.0
   46    40    43    50  -0.18200 -1.0 2.0
   46    40    43    50   0.29450  1.0 3.0
   52    46    56    57   0.15000  1.0 3.0
   52    46    56    58   0.15000  1.0 3.0
   52    46    56    59   0.15000  1.0 3.0
   56    46    52    53   0.15000  1.0 3.0
   56    46    52    54   0.15000  1.0 3.0
   56    46    52    55   0.15000  1.0 3.0
   71    65    40    33   0.56750  1.0 1.0
   71    65    40    33  -0.07550 -1.0 2.0
   71    65    40    33   0.20000  1.0 3.0
   71    65    40    43   0.56750  1.0 1.0
   71    65    40    43  -0.07550 -1.0 2.0
   71    65    40    43   0.20000  1.0 3.0
   71    65    40    46   0.56750  1.0 1.0
   71    65    40    46  -0.07550 -1.0 2.0
   71    65    40    46   0.20000  1.0 3.0
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
   43    63    50    51  10.50000 -1.0 2.0
END
