* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    149    239     425
    1     0 S   NP   _N1_     1    28.71251    96.43974   -23.05122
    2     1 S   H    _HN1     2     1.02783   101.92859   -88.25384
    3     1 S   H    _H1_     3     1.02951    71.70034    17.37018
    4     1 S   H    _H2_     4     1.02827    40.14530   168.05138
    5     1 S   CT   _CA1     5     1.50117   142.19916   117.28920
    6     5 S   HC   _HA1     6     1.09574   105.19597    91.50012
    7     5 S   CO3  _C1_     7     1.53791   112.45113   -28.72213
    8     7 S   O2Z  _O11     8     1.26372   115.00414   -42.56673
    9     7 S   O2Z  _O12     9     1.26241   114.94717   136.55443
   10     5 S   CT   _CB1    10     1.53082   107.41507  -150.52890
   11    10 S   HC   HB11    11     1.09832   109.36410   -49.83189
   12    10 S   HC   HB12    12     1.09814   110.44699    66.77263
   13    10 S   CT   _CG1    13     1.52985   112.61007  -170.82525
   14    13 S   HC   HG11    14     1.09586   110.60368   -65.52081
   15    13 S   HC   HG12    15     1.09670   109.81066    53.70662
   16    13 S   C    _CD1    16     1.51804   112.25855   174.14101
   17    16 S   O    _OE1    17     1.22727   123.30973     5.75183
   18    16 S   N    _N2_    18     1.38652   111.64377  -174.31369
   19    18 S   H    _HN2    19     1.01581   118.90245     1.76325
   20    18 S   CT1  _CA2    20     1.46181   123.40230   177.82408
   21    20 S   HC   _HA2    21     1.09732   109.40324     1.73291
   22    20 S   C    _C2_    22     1.53515   108.58296  -113.81657
   23    22 S   O    _O2_    23     1.23060   122.26335  -147.52576
   24    20 S   CT   _CB2    32     1.53300   111.54499   123.77853
   25    24 S   HC   HB21    33     1.09603   110.01937    56.00898
   26    24 S   HC   HB22    34     1.09443   110.19410   175.00182
   27    22 S   N    _N3_    24     1.38316   113.69065    39.88343
   28    27 S   H    _HN3    25     1.01594   119.58901    -3.32466
   29    24 S   S    _SG2    35     1.82750   111.57298   -64.78783
   30    27 S   CT   _CA3    26     1.45290   123.19567   177.11527
   31    30 S   HC   HA31    27     1.09550   107.51104   -64.46012
   32    30 S   HC   HA32    28     1.09557   107.97878    51.96983
   33    29 S   CT   _C15    36     1.84847    99.21400   174.62706
   34    33 S   HC   _H3_    37     1.08580   105.79147   -44.00420
   35    30 S   CO3  _C3_    29     1.52957   114.09446   173.96772
   36    35 S   O2Z  _O31    30     1.26374   116.06780    -0.69605
   37    35 S   O2Z  _O32    31     1.26429   114.41156   179.36419
   38    33 S   CT   _C7_    38     1.51618   113.21646  -169.86797
   39    38 S   HC   _H25    39     1.09027   111.19442  -178.30084
   40    38 S   CO4  _C4_    40     1.49557   100.63864   -72.68346
   41    40 S   O    _O16    41     1.21794   127.89547   150.05371
   42    38 S   C3T  _C11    62     1.47244   119.29468    63.84903
   43    42 S   HC   _H29    63     1.08241   113.81896  -153.55860
   44    40 S   OS   _O18    42     1.38556   106.63728   -33.37627
   45    71 S   O3T  _O20    64     1.44918   110.87606   116.93610
   46    33 S   CT   _C12    43     1.52077   111.35939    80.07270
   47    46 S   HC   _H30    44     1.09465   112.28258   -38.10893
   48    46 S   CT   _C9_    45     1.55741   114.13052  -165.03109
   49    48 S   HC   _H27    46     1.09942   110.11759   -88.93817
   50    48 S   CT   _C8_    47     1.53272   111.09806   152.38276
   51    50 S   HC   _H26    48     1.09681   111.33219   -43.01389
   52    50 S   CO4  _C5_    49     1.50350   102.19396  -156.88442
   53    52 S   O    _O17    50     1.22090   126.14689  -160.58690
   54    50 S   CT   _C17    70     1.51947   113.34470    82.01473
   55    54 S   HC   _H34    71     1.09557   111.49509    58.34244
   56    54 S   HC   _H35    72     1.09411   111.14523   -62.66138
   57    54 S   HC   _H36    73     1.09542   110.63457   177.54912
   58    52 S   OS   _O19    51     1.36402   109.55590    21.38648
   59    48 S   CT   _C10    52     1.53846   116.88965    35.86160
   60    59 S   HC   _H28    53     1.09502   110.82107    39.44573
   61    59 S   CT   _C6_    54     1.55400   116.55047   -90.10957
   62    61 S   HC   _H23    55     1.09982   108.29718  -123.51629
   63    61 S   HC   _H24    56     1.09091   112.25675    -9.97997
   64    61 S   C3T  _C16    57     1.51959   114.89807   118.34877
   65    64 S   C3T  _C14    58     1.54154   126.64592  -107.62877
   66    65 S   HC   _H32    59     1.09214   113.04345   159.65445
   67    64 S   CT   _C18    66     1.50924   115.12680    58.48622
   68    67 S   HC   _H37    67     1.09575   111.76584   159.27806
   69    67 S   HC   _H38    68     1.09484   110.96082    39.29801
   70    67 S   HC   _H39    69     1.09415   110.40235   -81.13864
   71    65 S   C3T  _C13    60     1.52399   134.04846    -2.25012
   72    71 S   HC   _H31    61     1.08905   113.39156  -111.29194
   73    64 S   O3T  _O21    65     1.43430   111.61912  -172.61953
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  13   8   9   3  10   4   6   6  11   4  16
   8  11   8   9   3   5   2   1   1   6   8   4  11   5   4   9
   8   4   5   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    46    47    48    49    50    59    71    42    43    45  
   38    39    40    44    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    44    46    47    48    65    71    72    42    43    45  
   40    41    44    46    71    42    43    45  
   41    44    46    47    48    71    42    43    45  
   44    46    42  
   43    45    73    44    46    64    65    66    71    72  
   45    65    71    72  
   46    47    48    49    50    59  
   73    64    65    66    71    72  
   47    48    49    50    51    52    58    59    60    61    54  
   48    49    50    59  
   49    50    51    52    53    58    59    60    61    62    63    64    54    55    56    57  
   50    51    52    58    59    60    61    54  
   51    52    53    58    59    60    61    54    55    56    57  
   52    53    58    59    54    55    56    57  
   53    58    59    60    61    54    55    56    57  
   58    59    54  
   55    56    57    58    59  
   56    57  
   57  
    0  
   59    60    61    62    63    64  
   60    61    62    63    64    65    73    67  
   61    62    63    64  
   62    63    64    65    66    71    73    67    68    69    70  
   63    64    65    73    67  
   64    65    73    67  
   65    66    71    72    73    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    73    67  
   68    69    70    71    73  
   69    70    73  
   70    73  
   73  
   72    73  
   73  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660   0.116200   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   275.000  1.510
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    59   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   268.000  1.529
   52    53   570.000  1.229
   52    58   214.000  1.327
   58    59   320.000  1.410
   59    60   340.000  1.090
   59    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   275.000  1.510
   64    65   260.000  1.509
   64    73   335.000  1.432
   64    67   275.000  1.510
   65    66   340.000  1.088
   65    71   260.000  1.509
   65    73   335.000  1.432
   71    72   340.000  1.088
   71    42   260.000  1.509
   71    45   335.000  1.432
   42    43   340.000  1.088
   42    45   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    70.00000  112.37300
   33    46    44    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    44    81.00000  111.40000
   38    42    71    60.00000  120.94000
   38    42    43    40.00000  115.04500
   38    42    45    80.00000  116.47100
   40    38    39    35.00000  109.50000
   40    44    46    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    46    47    35.00000  109.50000
   44    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    59    58.35000  112.70000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    63.00000  111.10000
   48    50    54    58.35000  112.70000
   48    59    58    50.00000  109.50000
   48    59    60    37.50000  110.70000
   48    59    61    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    58    81.00000  111.40000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    58    59    83.00000  116.90000
   58    52    53    83.00000  123.40000
   58    59    60    35.00000  109.50000
   58    59    61    50.00000  109.50000
   59    48    49    37.50000  110.70000
   59    48    50    58.35000  112.70000
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    70.00000  112.37300
   61    59    60    37.50000  110.70000
   61    64    65    60.00000  120.94000
   61    64    73    80.00000  116.47100
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    45.00000  109.38400
   64    61    63    45.00000  109.38400
   64    65    66    37.50000  117.20000
   64    65    71    60.00000  120.94000
   64    65    73    15.00000   60.43100
   64    73    65    15.00000   59.14900
   64    67    68    45.00000  109.38400
   64    67    69    45.00000  109.38400
   64    67    70    45.00000  109.38400
   65    71    72    37.50000  117.20000
   65    71    42    60.00000  120.94000
   65    71    45    80.00000  116.47100
   71    65    66    37.50000  117.20000
   71    42    43    37.50000  117.20000
   71    42    45    15.00000   60.43100
   71    45    42    15.00000   59.14900
   42    38    39    45.00000  109.38400
   42    38    40    63.00000  111.10000
   42    71    72    37.50000  117.20000
   45    71    72    50.00000  114.27700
   45    71    42    15.00000   60.43100
   45    42    43    50.00000  114.27700
   73    64    65    15.00000   60.43100
   73    65    66    50.00000  114.27700
   73    65    71    80.00000  116.47100
   67    64    65    60.00000  120.94000
   67    64    73    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    63.00000  111.10000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    44   0.36750  1.0 3.0
   33    38    42    71   0.07850  1.0 1.0
   33    38    42    71  -0.03950 -1.0 2.0
   33    38    42    71   0.67350  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    45   0.02550  1.0 1.0
   33    38    42    45  -0.02600 -1.0 2.0
   33    38    42    45   1.20400  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.56750  1.0 1.0
   33    46    48    50  -0.07550 -1.0 2.0
   33    46    48    50   0.20000  1.0 3.0
   33    46    48    59   0.56750  1.0 1.0
   33    46    48    59  -0.07550 -1.0 2.0
   33    46    48    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    44   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    44   0.62750  1.0 1.0
   38    33   -46    44  -0.30950 -1.0 2.0
   38    33   -46    44   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -44    46   1.63150  1.0 1.0
   38    40   -44    46   2.92000 -1.0 2.0
   38    42   -45    71   0.06250  1.0 1.0
   38    42   -45    71  -0.01100 -1.0 2.0
   38    42   -45    71   0.28050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    71   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    45   0.23400  1.0 3.0
   40    38    42    71  -0.95700  1.0 1.0
   40    38    42    71  -0.18200 -1.0 2.0
   40    38    42    71   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    45  -0.09450  1.0 1.0
   40    38    42    45  -1.12950 -1.0 2.0
   40    38    42    45   0.54000  1.0 3.0
   40    44   -46    33  -0.25900  1.0 1.0
   40    44   -46    33  -0.47000 -1.0 2.0
   40    44   -46    33   0.11750  1.0 3.0
   40    44    46    47   0.08050  1.0 3.0
   40    44    46    48  -0.25900  1.0 1.0
   40    44    46    48  -0.47000 -1.0 2.0
   40    44    46    48   0.11750  1.0 3.0
   41    40    44    46   3.00000 -1.0 2.0
   44    46    48    49   0.23400  1.0 3.0
   44    46    48    50   0.62750  1.0 1.0
   44    46    48    50  -0.30950 -1.0 2.0
   44    46    48    50   0.27300  1.0 3.0
   44    46    48    59   0.62750  1.0 1.0
   44    46    48    59  -0.30950 -1.0 2.0
   44    46    48    59   0.27300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.47050  1.0 1.0
   46    33    38    42   0.03900 -1.0 2.0
   46    33    38    42   0.20100  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52  -0.95700  1.0 1.0
   46    48    50    52  -0.18200 -1.0 2.0
   46    48    50    52   0.29450  1.0 3.0
   46    48    50    54   0.56750  1.0 1.0
   46    48    50    54  -0.07550 -1.0 2.0
   46    48    50    54   0.20000  1.0 3.0
   46    48    59    58   0.62750  1.0 1.0
   46    48    59    58  -0.30950 -1.0 2.0
   46    48    59    58   0.27300  1.0 3.0
   46    48    59    60   0.15000  1.0 3.0
   46    48    59    61   0.56750  1.0 1.0
   46    48    59    61  -0.07550 -1.0 2.0
   46    48    59    61   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    59   0.15000  1.0 3.0
   48    50    52    53   0.30150 -1.0 2.0
   48    50   -52    58   0.36750  1.0 3.0
   48    50    54    55   0.15000  1.0 3.0
   48    50    54    56   0.15000  1.0 3.0
   48    50    54    57   0.15000  1.0 3.0
   48    59    61    62   0.15000  1.0 3.0
   48    59    61    63   0.15000  1.0 3.0
   48    59    61    64   0.47050  1.0 1.0
   48    59    61    64   0.03900 -1.0 2.0
   48    59    61    64   0.20100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52  -0.11250  1.0 3.0
   49    48    50    54   0.15000  1.0 3.0
   49    48    59    58   0.23400  1.0 3.0
   49    48    59    60   0.15000  1.0 3.0
   49    48    59    61   0.15000  1.0 3.0
   50    48   -59    58   0.62750  1.0 1.0
   50    48   -59    58  -0.30950 -1.0 2.0
   50    48   -59    58   0.27300  1.0 3.0
   50    48    59    60   0.15000  1.0 3.0
   50    48    59    61   0.56750  1.0 1.0
   50    48    59    61  -0.07550 -1.0 2.0
   50    48    59    61   0.20000  1.0 3.0
   50    52   -58    59   1.63150  1.0 1.0
   50    52   -58    59   2.92000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    55  -0.11250  1.0 3.0
   52    50    54    56  -0.11250  1.0 3.0
   52    50    54    57  -0.11250  1.0 3.0
   52    58   -59    48  -0.25900  1.0 1.0
   52    58   -59    48  -0.47000 -1.0 2.0
   52    58   -59    48   0.11750  1.0 3.0
   52    58    59    60   0.08050  1.0 3.0
   52    58    59    61  -0.25900  1.0 1.0
   52    58    59    61  -0.47000 -1.0 2.0
   52    58    59    61   0.11750  1.0 3.0
   53    52    58    59   3.00000 -1.0 2.0
   58    59    61    62   0.23400  1.0 3.0
   58    59    61    63   0.23400  1.0 3.0
   58    59    61    64  -0.26800  1.0 1.0
   58    59    61    64   0.69150 -1.0 2.0
   58    59    61    64  -0.48750  1.0 3.0
   59    48    50    51   0.15000  1.0 3.0
   59    48   -50    52  -0.95700  1.0 1.0
   59    48   -50    52  -0.18200 -1.0 2.0
   59    48   -50    52   0.29450  1.0 3.0
   59    48    50    54   0.56750  1.0 1.0
   59    48    50    54  -0.07550 -1.0 2.0
   59    48    50    54   0.20000  1.0 3.0
   59    61    64    65   0.07850  1.0 1.0
   59    61    64    65  -0.03950 -1.0 2.0
   59    61    64    65   0.67350  1.0 3.0
   59    61    64    73   0.02550  1.0 1.0
   59    61    64    73  -0.02600 -1.0 2.0
   59    61    64    73   1.20400  1.0 3.0
   59    61    64    67   0.56750  1.0 1.0
   59    61    64    67  -0.07550 -1.0 2.0
   59    61    64    67   0.20000  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   61    64    65    66   0.15000  1.0 3.0
   61    64    65    71   0.07850  1.0 1.0
   61    64    65    71  -0.03950 -1.0 2.0
   61    64    65    71   0.67350  1.0 3.0
   61    64   -65    73   0.02550  1.0 1.0
   61    64   -65    73  -0.02600 -1.0 2.0
   61    64   -65    73   1.20400  1.0 3.0
   61    64   -73    65   0.06250  1.0 1.0
   61    64   -73    65  -0.01100 -1.0 2.0
   61    64   -73    65   0.28050  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70   0.15000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    73   0.23400  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    73   0.23400  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    65    71    72   0.15000  1.0 3.0
   64    65    71    42   0.07850  1.0 1.0
   64    65    71    42  -0.03950 -1.0 2.0
   64    65    71    42   0.67350  1.0 3.0
   64    65    71    45   0.02550  1.0 1.0
   64    65    71    45  -0.02600 -1.0 2.0
   64    65    71    45   1.20400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    71    42    38   0.07850  1.0 1.0
   65    71    42    38  -0.03950 -1.0 2.0
   65    71    42    38   0.67350  1.0 3.0
   65    71    42    43   0.15000  1.0 3.0
   65    71   -42    45   0.02550  1.0 1.0
   65    71   -42    45  -0.02600 -1.0 2.0
   65    71   -42    45   1.20400  1.0 3.0
   65    71   -45    42   0.06250  1.0 1.0
   65    71   -45    42  -0.01100 -1.0 2.0
   65    71   -45    42   0.28050  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    42   0.15000  1.0 3.0
   66    65    71    45   0.23400  1.0 3.0
   66    65   -73    64   0.36800  1.0 3.0
   71    65   -73    64   0.06250  1.0 1.0
   71    65   -73    64  -0.01100 -1.0 2.0
   71    65   -73    64   0.28050  1.0 3.0
   72    71    42    38   0.15000  1.0 3.0
   72    71    42    43   0.15000  1.0 3.0
   72    71   -42    45   0.23400  1.0 3.0
   72    71   -45    42   0.36800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.36750  1.0 3.0
   43    42   -45    71   0.36800  1.0 3.0
   45    71   -42    38   0.02550  1.0 1.0
   45    71   -42    38  -0.02600 -1.0 2.0
   45    71   -42    38   1.20400  1.0 3.0
   45    71   -42    43   0.23400  1.0 3.0
   73    64   -65    66   0.23400  1.0 3.0
   73    64   -65    71   0.02550  1.0 1.0
   73    64   -65    71  -0.02600 -1.0 2.0
   73    64   -65    71   1.20400  1.0 3.0
   73    64    67    68   0.23400  1.0 3.0
   73    64    67    69   0.23400  1.0 3.0
   73    64    67    70   0.23400  1.0 3.0
   73    65    71    72   0.23400  1.0 3.0
   73    65    71    42   0.02550  1.0 1.0
   73    65    71    42  -0.02600 -1.0 2.0
   73    65    71    42   1.20400  1.0 3.0
   73    65    71    45   1.11900  1.0 1.0
   73    65    71    45  -1.16350 -1.0 2.0
   73    65    71    45  -0.34150  1.0 3.0
   67    64    65    66   0.15000  1.0 3.0
   67    64    65    71   0.07850  1.0 1.0
   67    64    65    71  -0.03950 -1.0 2.0
   67    64    65    71   0.67350  1.0 3.0
   67    64   -65    73   0.02550  1.0 1.0
   67    64   -65    73  -0.02600 -1.0 2.0
   67    64   -65    73   1.20400  1.0 3.0
   67    64   -73    65   0.06250  1.0 1.0
   67    64   -73    65  -0.01100 -1.0 2.0
   67    64   -73    65   0.28050  1.0 3.0
   54    50    52    53   0.30150 -1.0 2.0
   54    50    52    58   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   50    58    52    53  10.50000 -1.0 2.0
END
