* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    122    186     355
    1     0 S   NP   _N1_     1    28.61074    96.11491   -22.97730
    2     1 S   H    _HN1     2     1.02787   102.38671   -91.09770
    3     1 S   H    _H1_     3     1.02949    74.15987    14.73825
    4     1 S   H    _H2_     4     1.02828    37.43022   165.58847
    5     1 S   CT   _CA1     5     1.50110   140.57616   117.79365
    6     5 S   HC   _HA1     6     1.09573   105.19647    88.05414
    7     5 S   CO3  _C1_     7     1.53784   112.42811   -32.18888
    8     7 S   O2Z  _O11     8     1.26372   115.01235   -43.50151
    9     7 S   O2Z  _O12     9     1.26236   114.94162   135.59794
   10     5 S   CT   _CB1    10     1.53074   107.41727  -153.97725
   11    10 S   HC   HB11    11     1.09834   109.37361   -49.72707
   12    10 S   HC   HB12    12     1.09812   110.45630    66.87747
   13    10 S   CT   _CG1    13     1.52995   112.60422  -170.69241
   14    13 S   HC   HG11    14     1.09582   110.64851   -65.64496
   15    13 S   HC   HG12    15     1.09670   109.77577    53.58979
   16    13 S   C    _CD1    16     1.51804   112.17620   174.05017
   17    16 S   O    _OE1    17     1.22740   123.26191     7.65114
   18    16 S   N    _N2_    18     1.38636   111.69259  -172.43703
   19    18 S   H    _HN2    19     1.01594   119.01212     1.55683
   20    18 S   CT1  _CA2    20     1.46227   123.42550   177.54984
   21    20 S   HC   _HA2    21     1.09744   109.28669     4.49571
   22    20 S   C    _C2_    22     1.53630   109.08597  -110.98555
   23    22 S   O    _O2_    23     1.23073   122.19880  -151.54391
   24    20 S   CT   _CB2    32     1.53453   111.42139   126.42309
   25    24 S   HC   HB21    33     1.09409   109.36612    55.35893
   26    24 S   HC   HB22    34     1.09390   109.74576   174.62721
   27    22 S   N    _N3_    24     1.38306   113.87353    36.09623
   28    27 S   H    _HN3    25     1.01561   119.56874    -3.66848
   29    24 S   S    _SG2    35     1.82824   111.02094   -65.54336
   30    27 S   CT   _CA3    26     1.45276   123.24016   177.05324
   31    30 S   HC   HA31    27     1.09549   107.54809   -63.77376
   32    30 S   HC   HA32    28     1.09556   107.94945    52.66756
   33    29 S   CT   _C14    36     1.84216   102.11596   178.58294
   34    33 S   HC   _H3_    37     1.09695   106.32454   176.88548
   35    30 S   CO3  _C3_    29     1.52961   114.06248   174.64178
   36    35 S   O2Z  _O31    30     1.26380   116.07516    -0.30519
   37    35 S   O2Z  _O32    31     1.26429   114.41930   179.73980
   38    33 S   CA   _C13    38     1.51781   113.58440    60.69019
   39    38 S   CA   _C8_    39     1.41431   118.05545  -105.65591
   40    39 S   CA   _C9_    40     1.40886   121.21595  -177.85972
   41    39 S   CO4  _C7_    60     1.48480   117.28236     5.55721
   42    41 S   O    _O33    61     1.22826   119.61386   142.37520
   43    40 S   CA   _C10    41     1.39642   118.81601    -2.53443
   44    40 S   CO4  _C18    57     1.48387   121.41158   173.95555
   45    44 S   O    _O35    58     1.22592   122.20193   164.43909
   46    44 S   HC   _H16    59     1.10067   117.71374   -17.27934
   47    41 S   CMA  _C6_    62     1.50940   118.36544   -35.95582
   48    47 S   OM   _O36    63     1.26242   114.63255  -147.81591
   49    43 S   CA   _C11    42     1.39307   120.51196     1.40903
   50    49 S   HA   _H7_    43     1.08850   118.32924   179.44082
   51    43 S   OH   _O34    55     1.36948   123.73292  -179.65170
   52    51 S   HO   _H15    56     0.97380   109.01452     4.41220
   53    33 S   CM   _C5_    64     1.51804   110.92609   -69.78843
   54    38 S   CA   _C12    44     1.41953   122.62590    74.66089
   55    53 S   CT   _C4_    65     1.51633   114.45901   -77.34634
   56    55 S   HC   _H4_    66     1.09526   110.12331   -57.40722
   57    55 S   HC   _H5_    67     1.09435   113.20708  -177.26527
   58    55 S   HC   _H6_    68     1.09452   110.61776    62.49074
   59    54 S   CT   _C15    45     1.52713   123.43223    -0.02798
   60    59 S   HC   _H8_    46     1.09184   110.54584    -1.11522
   61    59 S   CT   _C16    47     1.53309   111.76097  -118.89371
   62    61 S   HC   _H9_    48     1.09510   112.22467   -65.75715
   63    61 S   HC   _H10    49     1.09555   110.44041   174.37744
   64    61 S   HC   _H11    50     1.09562   110.95828    54.90459
   65    59 S   CT   _C17    51     1.53278   111.48030   116.43766
   66    65 S   HC   _H12    52     1.09517   112.19871    65.00934
   67    65 S   HC   _H13    53     1.09573   110.85223   -55.58850
   68    65 S   HC   _H14    54     1.09552   110.48926  -175.02661
  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   8   5   4   3
  15   6   2   1   1  16  14  12   8   3   9   4   1   1   6   2
   8   3   2   1   5  10   3   2   1   1   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    54    47    53    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    49    54    59    41    47    48    53    55    56    57    58  
   38    39    54    47    53    55  
   36    37  
   37  
    0  
   39    40    43    49    50    54    59    60    61    65    44    41    42    47    53    55  
   40    43    49    54    59    51    44    45    46    41    42    47    48    53  
   43    49    50    54    51    52    44    45    46    41    42    47  
   42    47    48    53    55    43    44    54  
   47    48    53  
   49    50    54    59    51    52    44    45    46  
   45    46    49    51  
   46  
    0  
   48    53    55    56    57    58  
   53    55  
   50    54    59    60    61    65    51    52  
   54    59    51  
   52    54  
    0  
   55    56    57    58    54  
   59    60    61    62    63    64    65    66    67    68  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    67    68  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    53   317.000  1.510
   38    39   469.000  1.400
   38    54   469.000  1.400
   39    40   469.000  1.400
   39    41   310.000  1.470
   40    43   469.000  1.400
   40    44   310.000  1.470
   43    49   469.000  1.400
   43    51   450.000  1.364
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    65   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   51    52   553.000  0.945
   44    45   570.000  1.229
   44    46   340.000  1.090
   41    42   570.000  1.229
   41    47   270.000  1.476
   47    48   745.000  1.250
   47    53   465.000  1.376
   53    55   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    53    75.00000  112.20000
   33    38    39    70.00000  120.00000
   33    38    54    70.00000  120.00000
   33    53    47    70.00000  124.00000
   33    53    55    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    39    40    63.00000  120.00000
   38    39    41    60.00000  119.52600
   38    54    49    63.00000  120.00000
   38    54    59    70.00000  120.00000
   39    40    43    63.00000  120.00000
   39    40    44    60.00000  119.52600
   39    41    42    75.00000  123.78400
   39    41    47    60.00000  117.44000
   40    43    49    63.00000  120.00000
   40    43    51    70.00000  120.00000
   40    44    45    75.00000  123.78400
   40    44    46    35.00000  115.00000
   43    49    50    35.00000  120.00000
   43    49    54    63.00000  120.00000
   43    51    52    35.00000  113.00000
   49    54    59    70.00000  120.00000
   54    38    39    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    70.00000  112.17500
   54    59    65    70.00000  112.17500
   59    61    62    37.50000  110.70000
   59    61    63    37.50000  110.70000
   59    61    64    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   61    59    60    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   51    43    49    70.00000  120.00000
   44    40    43    60.00000  119.52600
   46    44    45    35.00000  123.00000
   41    39    40    60.00000  119.52600
   41    47    48    85.00000  116.28000
   41    47    53    65.00000  114.61000
   47    41    42    80.00000  120.81000
   47    53    55    70.00000  124.00000
   53    33    34    35.00000  109.50000
   53    33    38    70.00000  112.99600
   53    47    48    65.00000  137.10300
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    53  -0.62250  1.0 1.0
   24    29    33    53  -0.38450 -1.0 2.0
   24    29    33    53   0.81900  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  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    54  -0.16000  1.0 1.0
   29    33    38    54  -0.03200 -1.0 2.0
   29    33    38    54   0.04500  1.0 3.0
   29    33    53    47   0.42700  1.0 1.0
   29    33    53    47  -0.70350 -1.0 2.0
   29    33    53    47  -0.43150  1.0 3.0
   29    33    53    55   0.30250  1.0 1.0
   29    33    53    55  -0.14950 -1.0 2.0
   29    33    53    55   0.36900  1.0 3.0
   33    38    39    40   3.62500 -1.0 2.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    54    49   3.62500 -1.0 2.0
   33    38    54    59   3.62500 -1.0 2.0
   33    53    55    56   0.34800  1.0 3.0
   33    53    55    57   0.34800  1.0 3.0
   33    53    55    58   0.34800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    54   0.00000  1.0 1.0
   34    33    53    47   0.00000  1.0 1.0
   34    33    53    55   0.34800  1.0 3.0
   38    33    53    47   1.44450  1.0 1.0
   38    33    53    47   0.06600 -1.0 2.0
   38    33    53    47   0.29250  1.0 3.0
   38    33    53    55   0.09700  1.0 1.0
   38    33    53    55   0.15600 -1.0 2.0
   38    33    53    55  -0.50800  1.0 3.0
   38    39    40    43   3.62500 -1.0 2.0
   38    39    40    44   3.62500 -1.0 2.0
   38    39    41    42   1.05000 -1.0 2.0
   38    39   -41    47  -0.11500  1.0 1.0
   38    39   -41    47   1.10450 -1.0 2.0
   38    39   -41    47  -0.48050  1.0 3.0
   38    54    59    60   0.00000  1.0 1.0
   38    54    59    61   0.04150 -1.0 2.0
   38    54    59    65   0.04150 -1.0 2.0
   39    38    54    49   3.62500 -1.0 2.0
   39    38    54    59   3.62500 -1.0 2.0
   39    40   -43    49   3.62500 -1.0 2.0
   39    40    43    51   3.62500 -1.0 2.0
   39    40    44    45   1.05000 -1.0 2.0
   39    40    44    46   0.56600 -1.0 2.0
   39    41    47    48   1.50000 -1.0 2.0
   39    41    47    53  -1.65800  1.0 1.0
   39    41    47    53   0.77650 -1.0 2.0
   40    39    41    42   1.05000 -1.0 2.0
   40    39    41    47  -0.11500  1.0 1.0
   40    39    41    47   1.10450 -1.0 2.0
   40    39    41    47  -0.48050  1.0 3.0
   40    43    49    50   3.62500 -1.0 2.0
   40    43    49    54   3.62500 -1.0 2.0
   40    43    51    52   0.84100 -1.0 2.0
   43    40    44    45   1.05000 -1.0 2.0
   43    40    44    46   0.56600 -1.0 2.0
   43    49   -54    38   3.62500 -1.0 2.0
   43    49    54    59   3.62500 -1.0 2.0
   49    43    51    52   0.84100 -1.0 2.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    61   0.04150 -1.0 2.0
   49    54    59    65   0.04150 -1.0 2.0
   50    49    54    38   3.62500 -1.0 2.0
   50    49    54    59   3.62500 -1.0 2.0
   54    38   -39    40   3.62500 -1.0 2.0
   54    38    39    41   3.62500 -1.0 2.0
   54    59    61    62   0.43200  1.0 3.0
   54    59    61    63   0.43200  1.0 3.0
   54    59    61    64   0.43200  1.0 3.0
   54    59    65    66   0.43200  1.0 3.0
   54    59    65    67   0.43200  1.0 3.0
   54    59    65    68   0.43200  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    68   0.15000  1.0 3.0
   65    59    61    62   0.15000  1.0 3.0
   65    59    61    63   0.15000  1.0 3.0
   65    59    61    64   0.15000  1.0 3.0
   51    43    49    50   3.62500 -1.0 2.0
   51    43    49    54   3.62500 -1.0 2.0
   44    40    43    49   3.62500 -1.0 2.0
   44    40    43    51   3.62500 -1.0 2.0
   41    39    40    43   3.62500 -1.0 2.0
   41    39    40    44   3.62500 -1.0 2.0
   41    47   -53    33   7.00000 -1.0 2.0
   41    47    53    55   7.00000 -1.0 2.0
   42    41    47    48  -0.11900  1.0 1.0
   42    41    47    48   0.76850 -1.0 2.0
   42    41    47    48   0.14100  1.0 3.0
   42    41    47    53   1.00000 -1.0 2.0
   47    53    55    56   0.00000  1.0 1.0
   47    53    55    57   0.00000  1.0 1.0
   47    53    55    58   0.00000  1.0 1.0
   48    47    53    33   7.00000 -1.0 2.0
   48    47    53    55   7.00000 -1.0 2.0
   53    33   -38    39   0.18050 -1.0 2.0
   53    33    38    54   0.18050 -1.0 2.0
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
   39    54    38    33   4.00000 -1.0 2.0
   40    41    39    38   4.00000 -1.0 2.0
   43    44    40    39   4.00000 -1.0 2.0
   49    51    43    40   4.00000 -1.0 2.0
   54    50    49    43   1.10000 -1.0 2.0
   49    59    54    38   4.00000 -1.0 2.0
   40    46    44    45  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   41    48    47    53   1.10000 -1.0 2.0
   33    55    53    47   1.10000 -1.0 2.0
END
