* LIGAND DATABASE FILE (OPLS2005)
*
001      70    70    127    176     364
    1     0 S   NP   _N1_     1    30.73640    92.34635   -15.95260
    2     1 S   H    _HN1     2     1.03741   117.79932   138.10165
    3     1 S   H    _H1_     3     1.02734    32.06053    60.34343
    4     1 S   H    _H2_     4     1.03221   126.20604    -2.70378
    5     1 S   CT   _CA1     5     1.50199    79.49323  -113.12547
    6     5 S   HC   _HA1     6     1.09704   104.61057    68.42701
    7     5 S   CO3  _C1_     7     1.54302   111.21393   -47.19988
    8     7 S   O2Z  _O11     8     1.26653   113.87678    63.35829
    9     7 S   O2Z  _O12     9     1.26050   116.82827  -116.19711
   10     5 S   CT   _CB1    10     1.52971   106.60884  -176.18751
   11    10 S   HC   HB11    11     1.09859   109.00693   -48.85952
   12    10 S   HC   HB12    12     1.09767   109.94270    67.05449
   13    10 S   CT   _CG1    13     1.53304   113.36661  -170.04134
   14    13 S   HC   HG11    14     1.09467   111.56011   -76.74983
   15    13 S   HC   HG12    15     1.09613   110.42620    42.91446
   16    13 S   C    _CD1    16     1.51564   110.79539   162.25166
   17    16 S   O    _OE1    17     1.22861   121.58962  -115.86246
   18    16 S   N    _N2_    18     1.38278   112.98899    63.48580
   19    18 S   H    _HN2    19     1.01582   119.31605     7.27767
   20    18 S   CT1  _CA2    20     1.46001   123.29409  -170.46317
   21    20 S   HC   _HA2    21     1.09667   109.34475    -4.80306
   22    20 S   C    _C2_    22     1.52623   106.79985  -122.78500
   23    22 S   O    _O2_    23     1.23027   122.77603   -31.48607
   24    20 S   CT   _CB2    32     1.53484   111.24893   117.49474
   25    24 S   HC   HB21    33     1.09587   109.53958    59.08042
   26    24 S   HC   HB22    34     1.09458   110.51343   178.03198
   27    22 S   N    _N3_    24     1.38483   112.83733   150.63594
   28    27 S   H    _HN3    25     1.01662   120.23668     0.48011
   29    24 S   S    _SG2    35     1.82765   110.62680   -61.18547
   30    27 S   CT   _CA3    26     1.45392   122.40318   178.73267
   31    30 S   HC   HA31    27     1.09561   107.08470   -73.20270
   32    30 S   HC   HA32    28     1.09572   108.40325    43.14056
   33    29 S   CT   _C7_    36     1.84742   100.24751   164.83194
   34    33 S   HC   _H6_    37     1.09492   105.22080   -21.30373
   35    30 S   CO3  _C3_    29     1.52879   114.63713   165.39976
   36    35 S   O2Z  _O31    30     1.26287   116.24878    -3.80977
   37    35 S   O2Z  _O32    31     1.26492   114.33675   176.49519
   38    33 S   CT   _C8_    38     1.54127   113.31466    97.82906
   39    38 S   HC   _H7_    39     1.09849   106.64562  -170.52786
   40    38 S   CT   _C9_    40     1.54494   114.23666    72.31792
   41    40 S   HC   _H8_    41     1.09727   107.04720   172.49656
   42    38 S   OS   _O37    66     1.42733   111.31466   -53.51736
   43    40 S   CT   _C4_    42     1.54209   111.17785    52.77098
   44    43 S   HC   _H3_    43     1.09547   109.76050  -170.90914
   45    40 S   OS   _O33    61     1.42640   111.38826   -69.46746
   46    42 S   P3   _P2_    67     1.65061   119.38713   -97.81471
   47    46 S   O2Z  _O39    68     1.52515   103.83647   177.71201
   48    46 S   O2Z  _O40    69     1.52543   104.87406    58.06251
   49    46 S   O2Z  _O38    70     1.52593   104.66288   -62.42926
   50    43 S   CT   _C5_    44     1.54065   114.18409   -49.22707
   51    50 S   HC   _H4_    45     1.09545   108.25102   167.23086
   52    43 S   OH   _O49    59     1.43100   108.85645    71.64024
   53    52 S   HO   _H10    60     0.97277   107.02161    59.58310
   54    45 S   P3   _P1_    62     1.65189   119.31019  -137.29424
   55    54 S   O2Z  _O35    63     1.52552   103.82552  -175.47814
   56    54 S   O2Z  _O36    64     1.52513   104.83173    64.77297
   57    54 S   O2Z  _O34    65     1.52587   105.00518   -55.58041
   58    33 S   CT   _C6_    46     1.54547   112.81536  -137.49241
   59    58 S   HC   _H5_    47     1.09796   106.29612   169.03705
   60    50 S   OS   _O45    53     1.42666   109.75148   -74.49946
   61    58 S   OS   _O41    48     1.42930   109.83711    52.82752
   62    60 S   P2   _P4_    54     1.63253   119.84541  -112.56774
   63    62 S   O2Z  _O48    55     1.51197   110.16057    45.47769
   64    62 S   O2Z  _O46    56     1.51260   108.63914   179.81655
   65    61 S   P3   _P3_    49     1.64820   120.38445   139.67299
   66    65 S   O2Z  _O43    50     1.52592   103.45263  -175.38671
   67    65 S   O2Z  _O44    51     1.52541   104.56984    65.70147
   68    65 S   O2Z  _O42    52     1.52383   105.16888   -55.50034
   69    62 S   OS   _O47    57     1.63050    99.55108   -68.10632
   70    69 S   HO   _H9_    58     0.98637   116.83141    69.72487
  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   6   4   4   3   2
   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    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    65    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    65    60    62    63    64    69    52    53  
   58    59    61    60    62    52  
   53    58    60  
    0  
   55    56    57  
   56    57  
   57  
    0  
   59    61    65    66    67    68    60    62  
   61    65    60  
   62    63    64    69    70    61  
   65    66    67    68  
   63    64    69    70  
   64    69    70  
   69    70  
   66    67    68  
   67    68  
   68  
    0  
   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  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   63   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   64   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   65   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   66   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   67   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   68   2.9800   0.2000  -1.119967   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    65   230.000  1.630
   65    66   525.000  1.516
   65    67   525.000  1.516
   65    68   525.000  1.516
   60    62   230.000  1.697
   62    63   525.000  1.480
   62    64   525.000  1.480
   62    69   230.000  1.697
   69    70   553.000  0.945
   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   100.00000  120.50000
   58    33    34    37.50000  110.70000
   58    33    38    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    61    65    80.00000  112.68000
   61    58    59    35.00000  109.50000
   61    65    66   100.00000  107.00000
   61    65    67   100.00000  107.00000
   61    65    68   100.00000  107.00000
   67    65    66   140.00000  114.00000
   68    65    66   140.00000  114.00000
   68    65    67   140.00000  114.00000
   60    50    51    35.00000  109.50000
   60    50    58    50.00000  109.50000
   60    62    63   100.00000  108.23000
   60    62    64   100.00000  108.23000
   60    62    69    45.00000  102.60000
   62    69    70    45.00000  108.50000
   64    62    63   140.00000  119.90000
   69    62    63   100.00000  108.23000
   69    62    64   100.00000  108.23000
   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    65  -2.65550  1.0 1.0
   33    58    61    65  -0.22350 -1.0 2.0
   33    58    61    65   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    65  -2.65550  1.0 1.0
   50    58    61    65  -0.22350 -1.0 2.0
   50    58    61    65   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    69   0.05050  1.0 1.0
   50    60    62    69  -1.30700 -1.0 2.0
   50    60    62    69   0.91550  1.0 3.0
   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    65    66   0.00000  1.0 1.0
   58    61    65    67   0.00000  1.0 1.0
   58    61    65    68   0.00000  1.0 1.0
   59    58    61    65   0.03000  1.0 3.0
   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
   60    62    69    70   0.00000  1.0 1.0
   63    62    69    70   0.00000  1.0 1.0
   64    62    69    70   0.00000  1.0 1.0
   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
