* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    127    176     364
    1     0 S   NP   _N1_     1    28.19745    97.96451   -22.55634
    2     1 S   H    _HN1     2     1.02776   109.70397  -116.90242
    3     1 S   H    _H1_     3     1.02956    67.52206   -14.56367
    4     1 S   H    _H2_     4     1.02835    41.17637   148.14847
    5     1 S   CT   _CA1     5     1.50168   135.81932    82.04057
    6     5 S   HC   _HA1     6     1.09576   105.15538    99.25194
    7     5 S   CO3  _C1_     7     1.53748   112.32730   -20.83542
    8     7 S   O2Z  _O11     8     1.26369   114.97391   -43.30114
    9     7 S   O2Z  _O12     9     1.26222   114.92435   135.53306
   10     5 S   CT   _CB1    10     1.53072   107.39181  -142.88959
   11    10 S   HC   HB11    11     1.09835   109.21499   -50.06995
   12    10 S   HC   HB12    12     1.09812   110.47403    66.44429
   13    10 S   CT   _CG1    13     1.53065   112.76729  -171.10777
   14    13 S   HC   HG11    14     1.09583   110.58172   -67.12576
   15    13 S   HC   HG12    15     1.09664   109.83414    52.11102
   16    13 S   C    _CD1    16     1.51878   112.12697   172.41739
   17    16 S   O    _OE1    17     1.22781   123.19214     5.97924
   18    16 S   N    _N2_    18     1.38537   111.89090  -173.88836
   19    18 S   H    _HN2    19     1.01584   119.28389     2.53374
   20    18 S   CT1  _CA2    20     1.45953   122.75639   176.87782
   21    20 S   HC   _HA2    21     1.09711   108.78531    29.21305
   22    20 S   C    _C2_    22     1.52941   106.34768   -88.01051
   23    22 S   O    _O2_    23     1.23032   122.84582   -33.39801
   24    20 S   CT   _CB2    32     1.53160   112.34189   152.62757
   25    24 S   HC   HB21    33     1.09554   109.91373    53.98568
   26    24 S   HC   HB22    34     1.09451   110.04631   172.93742
   27    22 S   N    _N3_    24     1.38498   112.84989   148.60016
   28    27 S   H    _HN3    25     1.01659   120.32006     0.25488
   29    24 S   S    _SG2    35     1.82641   110.95650   -66.75431
   30    27 S   CT   _CA3    26     1.45397   122.32862   179.03288
   31    30 S   HC   HA31    27     1.09563   107.18030   -70.72806
   32    30 S   HC   HA32    28     1.09576   108.26782    45.59262
   33    29 S   CT   _C7_    36     1.84222    99.75441   165.91746
   34    33 S   HC   _H6_    37     1.09341   105.52991   -47.53357
   35    30 S   CO3  _C3_    29     1.52873   114.61296   167.79645
   36    35 S   O2Z  _O31    30     1.26293   116.19805    -2.63804
   37    35 S   O2Z  _O32    31     1.26485   114.35727   177.56145
   38    33 S   CT   _C8_    38     1.54570   112.83636    70.39674
   39    38 S   HC   _H7_    39     1.09503   112.23320   -46.33789
   40    38 S   CT   _C9_    40     1.54087   111.20039    75.32371
   41    40 S   HC   _H8_    41     1.09665   108.05860   -64.46195
   42    38 S   OS   _O37    66     1.43321   107.69863  -163.81743
   43    40 S   CT   _C4_    42     1.53714   113.37604    55.14521
   44    43 S   HC   _H3_    43     1.09645   108.37838  -175.51498
   45    40 S   OS   _O33    61     1.43033   109.40247   177.84287
   46    42 S   P3   _P2_    67     1.64944   121.04678    90.63015
   47    46 S   O2Z  _O39    68     1.52731   103.30158  -147.29431
   48    46 S   O2Z  _O40    69     1.52468   104.20822    93.30381
   49    46 S   O2Z  _O38    70     1.52521   106.42196   -27.42024
   50    43 S   CT   _C5_    44     1.53904   111.49826   -54.38890
   51    50 S   HC   _H4_    45     1.09772   108.10938   169.29656
   52    43 S   OH   _O49    59     1.42826   110.41353    68.39173
   53    52 S   HO   _H10    60     0.97146   107.51108  -177.23622
   54    45 S   P3   _P1_    62     1.64949   119.33457   126.06121
   55    54 S   O2Z  _O35    63     1.52579   103.86558   179.11221
   56    54 S   O2Z  _O36    64     1.52544   104.77035    59.48419
   57    54 S   O2Z  _O34    65     1.52576   104.66325   -61.09922
   58    33 S   CT   _C6_    46     1.55332   111.07037  -162.53698
   59    58 S   HC   _H5_    47     1.09735   109.93860    44.32271
   60    50 S   OS   _O45    54     1.42666   108.55339   -72.08705
   61    58 S   OS   _O41    48     1.43181   108.37159   162.07851
   62    60 S   P3   _P4_    55     1.64925   119.04324  -121.48764
   63    62 S   O2Z  _O47    56     1.52527   103.77914   179.63416
   64    62 S   O2Z  _O48    57     1.52568   104.60424    59.82337
   65    62 S   O2Z  _O46    58     1.52514   104.58621   -60.64115
   66    61 S   P2   _P3_    49     1.62742   121.07149   -91.03033
   67    66 S   O2Z  _O44    50     1.51265   108.47134   -96.05783
   68    66 S   O2Z  _O42    51     1.51107   111.09245    39.13842
   69    66 S   OS   _O43    52     1.63154    97.55400   152.03206
   70    69 S   HO   _H9_    53     0.98685   116.33957   -64.85127
  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  17   7  16   7   7  12   7   6   3   2   1
   1  12   6   3   1   3   2   1   1   8   3   5   5   3   2   1
   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    58    59    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    59    61    66    60    45    42    46  
   38    39    40    50    58    59    61    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    58    59    61    52    45    54    42    46    47    48    49  
   40    41    43    58    45    42    46  
   41    43    44    50    51    58    60    52    53    45    54    55    56    57    42    46  
   43    44    50    52    45    54    42  
   46    47    48    49    43    45    58  
   44    50    51    58    59    61    60    62    52    53    45    54  
   50    51    58    60    52    53    45  
   54    55    56    57    50    52  
   47    48    49  
   48    49  
   49  
    0  
   51    58    59    61    66    60    62    63    64    65    52    53  
   58    59    61    60    62    52  
   53    58    60  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    61    66    67    68    69    60    62  
   61    66    60  
   62    63    64    65    61  
   66    67    68    69    70  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   47   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   48   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   57   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   58   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   65   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   66   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   67   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   69   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    43   268.000  1.529
   40    45   320.000  1.410
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    60   320.000  1.410
   58    59   340.000  1.090
   58    61   320.000  1.410
   61    66   230.000  1.697
   66    67   525.000  1.480
   66    68   525.000  1.480
   66    69   230.000  1.697
   69    70   553.000  0.945
   60    62   230.000  1.630
   62    63   525.000  1.516
   62    64   525.000  1.516
   62    65   525.000  1.516
   52    53   553.000  0.945
   45    54   230.000  1.630
   54    55   525.000  1.516
   54    56   525.000  1.516
   54    57   525.000  1.516
   42    46   230.000  1.630
   46    47   525.000  1.516
   46    48   525.000  1.516
   46    49   525.000  1.516
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    58    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    58    50    58.35000  112.70000
   33    58    59    37.50000  110.70000
   33    58    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    50.00000  109.50000
   38    42    46    80.00000  112.68000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    54    80.00000  112.68000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    58    58.35000  112.70000
   43    50    60    50.00000  109.50000
   43    52    53    55.00000  108.50000
   50    43    44    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    61    50.00000  109.50000
   50    60    62    80.00000  112.68000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    61    66   100.00000  120.50000
   61    58    59    35.00000  109.50000
   61    66    67   100.00000  108.23000
   61    66    68   100.00000  108.23000
   61    66    69    45.00000  102.60000
   66    69    70    45.00000  108.50000
   68    66    67   140.00000  119.90000
   69    66    67   100.00000  108.23000
   69    66    68   100.00000  108.23000
   60    50    51    35.00000  109.50000
   60    50    58    50.00000  109.50000
   60    62    63   100.00000  107.00000
   60    62    64   100.00000  107.00000
   60    62    65   100.00000  107.00000
   64    62    63   140.00000  114.00000
   65    62    63   140.00000  114.00000
   65    62    64   140.00000  114.00000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   45    40    41    35.00000  109.50000
   45    40    43    50.00000  109.50000
   45    54    55   100.00000  107.00000
   45    54    56   100.00000  107.00000
   45    54    57   100.00000  107.00000
   56    54    55   140.00000  114.00000
   57    54    55   140.00000  114.00000
   57    54    56   140.00000  114.00000
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
   42    46    47   100.00000  107.00000
   42    46    48   100.00000  107.00000
   42    46    49   100.00000  107.00000
   48    46    47   140.00000  114.00000
   49    46    47   140.00000  114.00000
   49    46    48   140.00000  114.00000
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    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    50   0.44750  1.0 1.0
   29    33    58    50  -0.17800 -1.0 2.0
   29    33    58    50   0.20200  1.0 3.0
   29    33    58    59   0.15000  1.0 3.0
   29    33    58    61   0.56750  1.0 1.0
   29    33    58    61  -0.07550 -1.0 2.0
   29    33    58    61   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38    40    45   0.62750  1.0 1.0
   33    38    40    45  -0.30950 -1.0 2.0
   33    38    40    45   0.27300  1.0 3.0
   33    38    42    46  -2.65550  1.0 1.0
   33    38    42    46  -0.22350 -1.0 2.0
   33    38    42    46   0.24150  1.0 3.0
   33    58    61    66  -2.65550  1.0 1.0
   33    58    61    66  -0.22350 -1.0 2.0
   33    58    61    66   0.24150  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    58    50   0.15000  1.0 3.0
   34    33    58    59   0.15000  1.0 3.0
   34    33    58    61   0.23400  1.0 3.0
   38    33    58    50   0.56750  1.0 1.0
   38    33    58    50  -0.07550 -1.0 2.0
   38    33    58    50   0.20000  1.0 3.0
   38    33    58    59   0.15000  1.0 3.0
   38    33    58    61   0.62750  1.0 1.0
   38    33    58    61  -0.30950 -1.0 2.0
   38    33    58    61   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.86500  1.0 1.0
   38    40    43    52  -0.17500 -1.0 2.0
   38    40    43    52   0.20800  1.0 3.0
   38    40    45    54  -2.65550  1.0 1.0
   38    40    45    54  -0.22350 -1.0 2.0
   38    40    45    54   0.24150  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.23400  1.0 3.0
   39    38    42    46   0.03000  1.0 3.0
   40    38    42    46  -2.65550  1.0 1.0
   40    38    42    46  -0.22350 -1.0 2.0
   40    38    42    46   0.24150  1.0 3.0
   40    43    50    51   0.15000  1.0 3.0
   40    43    50    58   0.56750  1.0 1.0
   40    43    50    58  -0.07550 -1.0 2.0
   40    43    50    58   0.20000  1.0 3.0
   40    43    50    60   0.62750  1.0 1.0
   40    43    50    60  -0.30950 -1.0 2.0
   40    43    50    60   0.27300  1.0 3.0
   40    43    52    53  -0.11600  1.0 1.0
   40    43    52    53  -0.09450 -1.0 2.0
   40    43    52    53   0.21250  1.0 3.0
   40    45    54    55   0.00000  1.0 1.0
   40    45    54    56   0.00000  1.0 1.0
   40    45    54    57   0.00000  1.0 1.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   0.23400  1.0 3.0
   41    40    45    54   0.03000  1.0 3.0
   43    40    45    54  -2.65550  1.0 1.0
   43    40    45    54  -0.22350 -1.0 2.0
   43    40    45    54   0.24150  1.0 3.0
   43    50   -58    33   0.56750  1.0 1.0
   43    50   -58    33  -0.07550 -1.0 2.0
   43    50   -58    33   0.20000  1.0 3.0
   43    50    58    59   0.15000  1.0 3.0
   43    50    58    61   0.62750  1.0 1.0
   43    50    58    61  -0.30950 -1.0 2.0
   43    50    58    61   0.27300  1.0 3.0
   43    50    60    62  -2.65550  1.0 1.0
   43    50    60    62  -0.22350 -1.0 2.0
   43    50    60    62   0.24150  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    58   0.15000  1.0 3.0
   44    43    50    60   0.23400  1.0 3.0
   44    43    52    53   0.19450  1.0 3.0
   50    43    52    53  -0.11600  1.0 1.0
   50    43    52    53  -0.09450 -1.0 2.0
   50    43    52    53   0.21250  1.0 3.0
   50    58    61    66  -2.65550  1.0 1.0
   50    58    61    66  -0.22350 -1.0 2.0
   50    58    61    66   0.24150  1.0 3.0
   50    60    62    63   0.00000  1.0 1.0
   50    60    62    64   0.00000  1.0 1.0
   50    60    62    65   0.00000  1.0 1.0
   51    50    58    33   0.15000  1.0 3.0
   51    50    58    59   0.15000  1.0 3.0
   51    50    58    61   0.23400  1.0 3.0
   51    50    60    62   0.03000  1.0 3.0
   58    33    38    39   0.15000  1.0 3.0
   58    33   -38    40   0.56750  1.0 1.0
   58    33   -38    40  -0.07550 -1.0 2.0
   58    33   -38    40   0.20000  1.0 3.0
   58    33    38    42   0.62750  1.0 1.0
   58    33    38    42  -0.30950 -1.0 2.0
   58    33    38    42   0.27300  1.0 3.0
   58    50    60    62  -2.65550  1.0 1.0
   58    50    60    62  -0.22350 -1.0 2.0
   58    50    60    62   0.24150  1.0 3.0
   58    61    66    67   0.00000  1.0 1.0
   58    61    66    68   0.00000  1.0 1.0
   58    61    66    69   0.05050  1.0 1.0
   58    61    66    69  -1.30700 -1.0 2.0
   58    61    66    69   0.91550  1.0 3.0
   59    58    61    66   0.03000  1.0 3.0
   61    66    69    70   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   60    50    58    33   0.62750  1.0 1.0
   60    50    58    33  -0.30950 -1.0 2.0
   60    50    58    33   0.27300  1.0 3.0
   60    50    58    59   0.23400  1.0 3.0
   60    50    58    61   1.11900  1.0 1.0
   60    50    58    61  -1.16350 -1.0 2.0
   60    50    58    61  -0.34150  1.0 3.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    58   0.86500  1.0 1.0
   52    43    50    58  -0.17500 -1.0 2.0
   52    43    50    58   0.20800  1.0 3.0
   52    43    50    60   3.69350  1.0 1.0
   52    43    50    60  -1.82950 -1.0 2.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.62750  1.0 1.0
   45    40    43    50  -0.30950 -1.0 2.0
   45    40    43    50   0.27300  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    43   0.62750  1.0 1.0
   42    38    40    43  -0.30950 -1.0 2.0
   42    38    40    43   0.27300  1.0 3.0
   42    38    40    45   1.11900  1.0 1.0
   42    38    40    45  -1.16350 -1.0 2.0
   42    38    40    45  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
END
