* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    131    199     376
    1     0 S   NP   _N1_     1    28.64462    96.62269   -22.69455
    2     1 S   H    _HN1     2     1.02830    40.90526   161.17072
    3     1 S   H    _H1_     3     1.02787   101.13380   -94.30078
    4     1 S   H    _H2_     4     1.02949    71.31731    11.51697
    5     1 S   CT   _CA1     5     1.50113   143.15278   110.88220
    6     5 S   HC   _HA1     6     1.09572   105.18351    91.78796
    7     5 S   CO3  _C1_     7     1.53786   112.53054   -28.44063
    8     7 S   O2Z  _O11     8     1.26372   114.99882   -40.93199
    9     7 S   O2Z  _O12     9     1.26242   114.95583   138.23144
   10     5 S   CT   _CB1    10     1.53083   107.43442  -150.19163
   11    10 S   HC   HB11    11     1.09833   109.36817   -49.44144
   12    10 S   HC   HB12    12     1.09812   110.44402    67.17548
   13    10 S   CT   _CG1    13     1.52987   112.61011  -170.41028
   14    13 S   HC   HG11    14     1.09583   110.66208   -66.25173
   15    13 S   HC   HG12    15     1.09672   109.76055    52.97859
   16    13 S   C    _CD1    16     1.51793   112.22635   173.46379
   17    16 S   O    _OE1    17     1.22724   123.29762     8.35795
   18    16 S   N    _N2_    18     1.38616   111.63503  -171.80398
   19    18 S   H    _HN2    19     1.01581   118.93285     1.83526
   20    18 S   CT1  _CA2    20     1.46173   123.48288   177.60796
   21    20 S   HC   _HA2    21     1.09733   109.44184     3.15728
   22    20 S   C    _C2_    22     1.53583   108.66747  -112.38652
   23    22 S   O    _O2_    23     1.23063   122.26539  -148.50431
   24    20 S   CT   _CB2    32     1.53371   111.36558   125.35012
   25    24 S   HC   HB21    33     1.09375   109.48092    56.22675
   26    24 S   HC   HB22    34     1.09280   109.60748   174.54364
   27    22 S   N    _N3_    24     1.38315   113.73282    38.95939
   28    27 S   H    _HN3    25     1.01577   119.58712    -3.29004
   29    24 S   S    _SG2    35     1.82860   111.20576   -66.74181
   30    27 S   CT   _CA3    26     1.45284   123.23563   177.17347
   31    30 S   HC   HA31    27     1.09548   107.50526   -64.81039
   32    30 S   HC   HA32    28     1.09556   107.99788    51.63874
   33    29 S   CT   _C16    36     1.87669   101.91382   149.05922
   34    30 S   CO3  _C3_    29     1.52966   114.05497   173.63471
   35    34 S   O2Z  _O31    30     1.26381   116.06143    -0.77152
   36    34 S   O2Z  _O32    31     1.26428   114.41761   179.28866
   37    33 S   CM   _C11    37     1.52737   106.48580  -163.36116
   38    37 S   HC   _H29    38     1.08966   118.00477    30.96382
   39    33 S   OS   _O24    69     1.44728   111.94817   -43.81052
   40    37 S   CMA  _C13    39     1.34969   123.85481  -151.14245
   41    40 S   OM   _O18    40     1.25877   130.95161  -178.72191
   42    39 S   CT   _C20    70     1.42196   117.62266   -68.64880
   43    42 S   HC   _H36    71     1.09380   107.74809   170.47971
   44    42 S   HC   _H37    72     1.09250   112.16008    51.73051
   45    42 S   HC   _H38    73     1.09354   110.83754   -72.03305
   46    40 S   CM   _C10    41     1.46130   117.61078    -1.21466
   47    46 S   HC   _H28    42     1.09004   118.36400  -161.86183
   48    46 S   CM   _C14    43     1.34569   121.62221    19.44669
   49    33 S   CT   _C17    44     1.58114   112.21985    77.19412
   50    48 S   CO4  _C15    62     1.47893   115.50450   178.79634
   51    50 S   O    _O20    63     1.22200   124.14080    49.99611
   52    49 S   CO4  _C12    45     1.52676   112.85272   -74.54075
   53    52 S   O    _O19    46     1.21664   128.91818   -61.72644
   54    50 S   OS   _O23    64     1.35783   109.15123  -128.90699
   55    52 S   CA   _C6_    47     1.44078   107.40312   119.97274
   56    54 S   CT   _C19    65     1.43001   115.30927  -179.61235
   57    56 S   HC   _H33    66     1.09328   108.07337   178.93431
   58    56 S   HC   _H34    67     1.09427   110.30075    60.29659
   59    56 S   HC   _H35    68     1.09413   110.27377   -62.33813
   60    55 S   CA   _C8_    48     1.37743   105.94505     0.17583
   61    60 S   CA   _C4_    49     1.38203   120.68355   179.92338
   62    61 S   HA   _H26    50     1.08551   120.46714  -179.56299
   63    49 S   OS   _O21    61     1.46440   110.82754    42.11583
   64    61 S   CA   _C7_    51     1.40544   118.48438     0.45327
   65    64 S   CA   _C5_    52     1.41294   119.94080    -1.18531
   66    65 S   HA   _H27    53     1.08774   119.88451  -178.86944
   67    64 S   CT   _C18    57     1.50059   120.07316  -178.51049
   68    67 S   HC   _H30    58     1.09428   109.96831    89.80146
   69    67 S   HC   _H31    59     1.09504   110.86289  -149.68601
   70    67 S   HC   _H32    60     1.09507   110.92728   -30.67623
   71    55 S   CA   _C9_    54     1.37777   131.58958   179.72589
   72    71 S   OH   _O22    55     1.36024   122.88464     0.08393
   73    72 S   HO   _H39    56     0.97437   108.45017     0.57096
  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
  18   2   1   1  11   5   9   6   3   4   2   1   1   8   3  10
  10   8   2   8   4   4  10   3   2   1   1   8  10   4   2   8
   8   3   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    48    49    52    63    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    46    48    49    52    53    55    60    63    50    39    42    43    44    45  
   35    36  
   36  
    0  
   38    40    41    46    47    48    49    52    63    39    42  
   40    41    46    49    39  
   42    43    44    45    40    48    49    52    63  
   41    46    47    48    49    50  
   46    47    48  
   43    44    45    49  
   44    45  
   45  
    0  
   47    48    49    52    63    50    51    54  
   48    49    50  
   49    52    53    55    60    63    50    51    54    56  
   52    53    55    60    61    71    63    50    51    54  
   51    54    56    57    58    59    52    63  
   54    56  
   53    55    60    61    65    71    72    63  
   55    60    71    63  
   56    57    58    59  
   60    61    62    64    65    66    71    72    73    63  
   57    58    59  
   58    59  
   59  
    0  
   61    62    64    65    71    72    67    63  
   62    64    65    66    71    67    68    69    70    63  
   64    65    67    63  
   64    71  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    49   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   465.000  1.376
   40    41   745.000  1.250
   40    46   465.000  1.376
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   317.000  1.510
   48    50   320.000  1.462
   49    52   317.000  1.522
   49    63   320.000  1.410
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    60   469.000  1.400
   55    71   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   570.000  1.229
   50    54   214.000  1.327
   54    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    49    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    49    48    70.00000  112.02700
   33    49    52    63.00000  111.10000
   33    49    63    50.00000  109.50000
   33    39    42    60.00000  109.50000
   37    40    41    65.00000  137.10300
   37    40    46    70.00000  123.01800
   40    37    38    40.00000  120.50800
   40    46    47    40.00000  120.50800
   40    46    48    70.00000  117.34000
   46    40    41    65.00000  137.10300
   46    48    49    70.00000  124.00000
   46    48    50    65.00000  118.96000
   48    46    47    35.00000  120.00000
   48    49    52    70.00000  109.06800
   48    49    63    85.00000  110.90400
   48    50    51    80.00000  123.72100
   48    50    54    90.00000  111.29400
   49    33    37    70.00000  112.02700
   49    52    53    80.00000  120.40000
   49    52    55    65.00000  115.47100
   49    63    60    75.00000  111.00000
   52    55    60    60.00000  119.52600
   52    55    71    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    60    61    63.00000  120.00000
   55    60    63    70.00000  120.00000
   55    71    65    63.00000  120.00000
   55    71    72    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    64    63.00000  120.00000
   61    64    65    63.00000  120.00000
   61    64    67    70.00000  120.00000
   64    61    62    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    55    60    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   63    49    52    90.00000  108.74100
   63    60    61    70.00000  120.00000
   50    48    49    65.00000  116.34900
   50    54    56    83.00000  116.90000
   54    50    51    83.00000  123.40000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   39    33    37    85.00000  110.90400
   39    33    49    50.00000  109.50000
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    49    48   0.56750  1.0 1.0
   29    33    49    48  -0.07550 -1.0 2.0
   29    33    49    48   0.20000  1.0 3.0
   29    33    49    52   0.56750  1.0 1.0
   29    33    49    52  -0.07550 -1.0 2.0
   29    33    49    52   0.20000  1.0 3.0
   29    33    49    63   0.56750  1.0 1.0
   29    33    49    63  -0.07550 -1.0 2.0
   29    33    49    63   0.20000  1.0 3.0
   29    33    39    42   0.14700  1.0 1.0
   29    33    39    42  -1.16150 -1.0 2.0
   29    33    39    42   0.48700  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    49    52    53   0.30150 -1.0 2.0
   33    49    52    55   0.05850 -1.0 2.0
   33    49    52    55   0.17250  1.0 3.0
   33    49    63    60  -0.32850  1.0 1.0
   33    49    63    60  -0.35800 -1.0 2.0
   33    49    63    60   0.33950  1.0 3.0
   33    39    42    43   0.37050  1.0 3.0
   33    39    42    44   0.37050  1.0 3.0
   33    39    42    45   0.37050  1.0 3.0
   37    33    49    48   0.31000  1.0 1.0
   37    33    49    48   0.14700 -1.0 2.0
   37    33    49    48   0.07550  1.0 3.0
   37    33    49    52  -0.98800  1.0 1.0
   37    33    49    52   0.48800 -1.0 2.0
   37    33    49    52   0.76800  1.0 3.0
   37    33    49    63   0.61850  1.0 1.0
   37    33    49    63  -0.22750 -1.0 2.0
   37    33    49    63   0.15300  1.0 3.0
   37    33    39    42  -0.77900  1.0 1.0
   37    33    39    42  -0.36900 -1.0 2.0
   37    33    39    42   0.40400  1.0 3.0
   37    40    46    47   7.00000 -1.0 2.0
   37    40   -46    48   7.00000 -1.0 2.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    46   7.00000 -1.0 2.0
   40    46    48    49   7.00000 -1.0 2.0
   40    46    48    50   7.00000 -1.0 2.0
   41    40    46    47   7.00000 -1.0 2.0
   41    40    46    48   7.00000 -1.0 2.0
   46    48   -49    33   0.09850  1.0 1.0
   46    48   -49    33   0.15250 -1.0 2.0
   46    48   -49    33  -0.50650  1.0 3.0
   46    48    49    52  -0.51250  1.0 1.0
   46    48    49    52  -0.88800 -1.0 2.0
   46    48    49    52   0.08850  1.0 3.0
   46    48    49    63   0.39000  1.0 1.0
   46    48    49    63  -0.05800 -1.0 2.0
   46    48    49    63  -0.55150  1.0 3.0
   46    48    50    51   1.00000 -1.0 2.0
   46    48    50    54  -0.56150  1.0 1.0
   46    48    50    54   2.19150 -1.0 2.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    50   7.00000 -1.0 2.0
   48    49    52    53   0.30150 -1.0 2.0
   48    49    52    55   0.65300  1.0 1.0
   48    49    52    55  -0.03850 -1.0 2.0
   48    49    52    55   0.33900  1.0 3.0
   48    49    63    60  -0.25600  1.0 1.0
   48    49    63    60  -0.40050 -1.0 2.0
   48    49    63    60   0.34700  1.0 3.0
   48    50    54    56   2.00000 -1.0 2.0
   49    33    37    38   0.00000  1.0 1.0
   49    33   -37    40   0.09850  1.0 1.0
   49    33   -37    40   0.15250 -1.0 2.0
   49    33   -37    40  -0.50650  1.0 3.0
   49    33    39    42   0.06250  1.0 1.0
   49    33    39    42  -0.01100 -1.0 2.0
   49    33    39    42   0.28050  1.0 3.0
   49    48    50    51  -0.64400  1.0 1.0
   49    48    50    51   0.26850 -1.0 2.0
   49    48    50    54  -0.15000  1.0 1.0
   49    48    50    54   0.89550 -1.0 2.0
   49    48    50    54  -0.06900  1.0 3.0
   49    52   -55    60   2.26350  1.0 1.0
   49    52   -55    60   0.76750 -1.0 2.0
   49    52   -55    60   0.22500  1.0 3.0
   49    52    55    71   2.26350  1.0 1.0
   49    52    55    71   0.76750 -1.0 2.0
   49    52    55    71   0.22500  1.0 3.0
   52    49   -63    60  -0.25600  1.0 1.0
   52    49   -63    60  -0.40050 -1.0 2.0
   52    49   -63    60   0.34700  1.0 3.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55   -60    63   3.62500 -1.0 2.0
   52    55    71    65   3.62500 -1.0 2.0
   52    55    71    72   3.62500 -1.0 2.0
   53    52    55    60   1.05000 -1.0 2.0
   53    52    55    71   1.05000 -1.0 2.0
   55    60    61    62   3.62500 -1.0 2.0
   55    60    61    64   3.62500 -1.0 2.0
   55    60   -63    49   1.63200 -1.0 2.0
   55    71    72    73   0.84100 -1.0 2.0
   60    55    71    65   3.62500 -1.0 2.0
   60    55    71    72   3.62500 -1.0 2.0
   60    61   -64    65   3.62500 -1.0 2.0
   60    61    64    67   3.62500 -1.0 2.0
   61    60    63    49   1.63200 -1.0 2.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    65    71   3.62500 -1.0 2.0
   61    64    67    68   0.00000  1.0 1.0
   61    64    67    69   0.00000  1.0 1.0
   61    64    67    70   0.00000  1.0 1.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   64    65   -71    55   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    55   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    55   -60    61   3.62500 -1.0 2.0
   71    55    60    63   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   63    49    52    53   0.30150 -1.0 2.0
   63    49   -52    55   0.65300  1.0 1.0
   63    49   -52    55  -0.03850 -1.0 2.0
   63    49   -52    55   0.33900  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    64   3.62500 -1.0 2.0
   50    48    49    33   0.09700  1.0 1.0
   50    48    49    33   0.15600 -1.0 2.0
   50    48    49    33  -0.50800  1.0 3.0
   50    48    49    52   0.09700  1.0 1.0
   50    48    49    52   0.15600 -1.0 2.0
   50    48    49    52  -0.50800  1.0 3.0
   50    48    49    63   0.09700  1.0 1.0
   50    48    49    63   0.15600 -1.0 2.0
   50    48    49    63  -0.50800  1.0 3.0
   50    54    56    57   0.08050  1.0 3.0
   50    54    56    58   0.08050  1.0 3.0
   50    54    56    59   0.08050  1.0 3.0
   51    50    54    56   3.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    49    48   0.61850  1.0 1.0
   39    33    49    48  -0.22750 -1.0 2.0
   39    33    49    48   0.15300  1.0 3.0
   39    33    49    52  -0.09450  1.0 1.0
   39    33    49    52  -1.12950 -1.0 2.0
   39    33    49    52   0.54000  1.0 3.0
   39    33    49    63   1.11900  1.0 1.0
   39    33    49    63  -1.16350 -1.0 2.0
   39    33    49    63  -0.34150  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   40    47    46    48   1.10000 -1.0 2.0
   50    49    48    46   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
   60    71    55    52   4.00000 -1.0 2.0
   61    63    60    55   4.00000 -1.0 2.0
   64    62    61    60   1.10000 -1.0 2.0
   65    67    64    61   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    55   4.00000 -1.0 2.0
   48    54    50    51  10.50000 -1.0 2.0
END
