* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    245     468
    1     0 S   NP   _N1_     1    29.28640    95.46955   -23.70183
    2     1 S   H    _HN1     2     1.02781   106.67440   -84.61658
    3     1 S   H    _H1_     3     1.02950    75.12216    20.48320
    4     1 S   H    _H2_     4     1.02830    34.48093   177.91372
    5     1 S   CT   _CA1     5     1.50109   135.72928   124.63710
    6     5 S   HC   _HA1     6     1.09572   105.21776    88.21265
    7     5 S   CO3  _C1_     7     1.53790   112.40705   -32.05877
    8     7 S   O2Z  _O11     8     1.26372   114.99826   -43.56372
    9     7 S   O2Z  _O12     9     1.26235   114.94914   135.58263
   10     5 S   CT   _CB1    10     1.53085   107.43474  -153.79405
   11    10 S   HC   HB11    11     1.09830   109.41067   -49.79738
   12    10 S   HC   HB12    12     1.09814   110.43305    66.81108
   13    10 S   CT   _CG1    13     1.52994   112.59251  -170.78343
   14    13 S   HC   HG11    14     1.09584   110.59966   -64.66435
   15    13 S   HC   HG12    15     1.09667   109.83172    54.56850
   16    13 S   C    _CD1    16     1.51793   112.24416   175.04243
   17    16 S   O    _OE1    17     1.22741   123.26510     5.52691
   18    16 S   N    _N2_    18     1.38648   111.64884  -174.77918
   19    18 S   H    _HN2    19     1.01594   119.06215     0.60198
   20    18 S   CT1  _CA2    20     1.46082   123.23733   178.14333
   21    20 S   HC   _HA2    21     1.09365   108.79986    -7.56878
   22    20 S   C    _C2_    22     1.53425   109.08523  -122.34106
   23    22 S   O    _O2_    23     1.23059   122.33931  -151.35847
   24    20 S   CT   _CB2    32     1.53195   111.58055   114.53475
   25    24 S   HC   HB21    33     1.09649   109.59769    54.28118
   26    24 S   HC   HB22    34     1.09467   111.65152   171.82692
   27    22 S   N    _N3_    24     1.38311   113.58415    36.67482
   28    27 S   H    _HN3    25     1.01637   119.47404    -3.74753
   29    24 S   S    _SG2    35     1.82907   113.40182   -65.07176
   30    27 S   CT   _CA3    26     1.45280   123.18177   176.94085
   31    30 S   HC   HA31    27     1.09535   107.71126   -61.56880
   32    30 S   HC   HA32    28     1.09556   107.83024    54.82075
   33    29 S   CT   _C18    36     1.83717   100.28504   -74.37219
   34    33 S   HC   _H3_    37     1.09558   105.01384    61.80263
   35    30 S   CO3  _C3_    29     1.52918   114.10549   176.68861
   36    35 S   O2Z  _O31    30     1.26368   116.04829    -0.84140
   37    35 S   O2Z  _O32    31     1.26424   114.39865   179.25349
   38    33 S   CT   _C9_    38     1.53935   112.53744   178.41674
   39    38 S   HC   _H34    39     1.09955   106.79790   -60.46844
   40    33 S   OS   _O20    55     1.42642   111.68568   -55.57065
   41    38 S   CO4  _C4_    40     1.52572   116.30330    57.74237
   42    41 S   O    _O17    41     1.22477   124.93302    -3.87732
   43    41 S   OS   _O18    42     1.36463   113.92085   176.34880
   44    43 S   CT   _C8_    43     1.43779   118.81169    -0.98397
   45    44 S   HC   _H32    44     1.09486   107.64763  -171.40522
   46    44 S   HC   _H33    45     1.09590   109.02038    72.71320
   47    44 S   CT   _C7_    46     1.52055   110.74437   -51.16531
   48    47 S   HC   _H30    47     1.09669   109.18483   170.16989
   49    47 S   HC   _H31    48     1.09443   108.81676   -74.97533
   50    38 S   CT   _C11    49     1.54286   109.45169  -178.84716
   51    50 S   HC   _H36    50     1.10100   105.94182    66.60355
   52    50 S   CT   _C10    51     1.55809   112.97857   -48.50332
   53    52 S   HC   _H35    52     1.09997   106.45104   164.07422
   54    52 S   CO   _C16    53     1.54554   110.61892    47.30961
   55    54 S   HC   _H41    54     1.09705   108.86698  -168.68635
   56    52 S   CM   _C6_    79     1.51577   115.04594   -76.36082
   57    56 S   HC   _H29    80     1.08654   118.24788    66.68066
   58    54 S   OS1  _O25    56     1.43387   108.31360    74.17948
   59    56 S   CM   _C5_    81     1.33884   123.90945  -115.46762
   60    59 S   HC   _H27    82     1.08480   120.44286  -178.96335
   61    59 S   HC   _H28    83     1.08446   121.66276     1.13281
   62    58 S   CO1  _C17    57     1.43356   113.26032   169.95502
   63    62 S   HC   _H42    58     1.09602   108.50717    54.00545
   64    62 S   CT   _C14    59     1.53207   107.43630   173.23186
   65    64 S   HC   _H39    60     1.09710   110.10691    53.39836
   66    64 S   CT   _C12    61     1.52887   111.04538   175.91208
   67    66 S   HC   _H37    62     1.09539   110.06988    74.04619
   68    64 S   OH5  _O23    77     1.42810   109.40030   -63.67888
   69    68 S   HO   _H48    78     0.97338   107.25502  -173.69892
   70    66 S   CT   _C13    63     1.53107   111.65981   -48.82557
   71    70 S   HC   _H38    64     1.09699   109.08812   -72.33588
   72    66 S   OH5  _O21    75     1.42993   109.07030  -170.56660
   73    72 S   HO   _H46    76     0.97246   108.18494    66.85307
   74    70 S   CT   _C15    65     1.53252   110.79072    48.88793
   75    74 S   HC   _H40    66     1.09832   110.99320    64.85702
   76    70 S   OH5  _O22    73     1.42591   109.62677   170.82922
   77    76 S   HO   _H47    74     0.97309   108.10757   -57.35926
   78    62 S   OS1  _O19    67     1.42901   111.18751   -67.05897
   79    74 S   CT   _C19    68     1.52966   111.48834  -174.37190
   80    79 S   HC   _H44    69     1.09501   111.00444    69.18767
   81    79 S   HC   _H45    70     1.09400   111.52666   -53.19238
   82    79 S   OH5  _O24    71     1.42496   109.07681  -172.16524
   83    82 S   HO   _H49    72     0.97238   107.02871  -178.70487
  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
  14   6   2   1   1  15   8   9   9   3   7   8   5   4   8   4
   3   9   4  10   6   9   3   5   3   8   2   1   1  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    50    54    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    47    50    51    52    54    55    40    58  
   38    39    41    50    54    40  
   36    37  
   37  
    0  
   39    41    42    43    44    47    48    49    50    51    52    53    54    40    56  
   41    42    43    47    50    51    52    40  
   58    62    56    41    50    52    53    54    55  
   42    43    44    45    46    47    50    51    52  
   43    44    50  
   44    45    46    47    48    49    50  
   45    46    47    48    49    50    51    52  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    53    54    56  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    58    56    57    59  
   52    53    54    56  
   53    54    55    58    62    56    57    59    60    61  
   54    55    58    56    57    59  
   55    58    62    63    64    78    56    57    59  
   58    62    56  
   57    59    60    61    58  
   59    60    61  
   62    63    64    65    66    74    78    68  
   60    61  
   61  
    0  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   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    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    50   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   52    53   340.000  1.090
   52    54   250.000  1.527
   52    56   317.000  1.510
   54    55   340.000  1.090
   54    40   320.000  1.380
   54    58   320.000  1.380
   58    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   56    57   340.000  1.080
   56    59   549.000  1.340
   59    60   340.000  1.080
   59    61   340.000  1.080
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    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    50    58.35000  112.70000
   33    40    54    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    81.00000  111.40000
   38    50    47    58.35000  112.70000
   38    50    51    37.50000  110.70000
   38    50    52    58.35000  112.70000
   41    38    39    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    38    39    37.50000  110.70000
   50    38    41    63.00000  111.10000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    37.50000  110.70000
   50    52    54    75.00000  109.43000
   50    52    56    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    54    55    45.00000  112.01100
   52    54    40    90.00000  108.56700
   52    54    58    90.00000  108.56700
   52    56    57    35.00000  117.00000
   52    56    59    70.00000  124.00000
   54    52    53    45.00000  108.72000
   54    58    62    90.00000  112.10700
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    54    55    35.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    40    92.60000  111.55000
   58    62    63    60.00000  105.75400
   58    62    64    90.00000  109.70700
   58    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   56    52    53    35.00000  109.50000
   56    52    54    70.00000  112.02700
   56    59    60    35.00000  120.00000
   56    59    61    35.00000  120.00000
   59    56    57    35.00000  120.00000
   61    59    60    35.00000  117.00000
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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    54   0.14700  1.0 1.0
   29    33    40    54  -1.16150 -1.0 2.0
   29    33    40    54   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.36750  1.0 3.0
   33    38    50    47   0.56750  1.0 1.0
   33    38    50    47  -0.07550 -1.0 2.0
   33    38    50    47   0.20000  1.0 3.0
   33    38    50    51   0.15000  1.0 3.0
   33    38    50    52   0.56750  1.0 1.0
   33    38    50    52  -0.07550 -1.0 2.0
   33    38    50    52   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    54   0.37050  1.0 3.0
   38    33    40    54   0.06250  1.0 1.0
   38    33    40    54  -0.01100 -1.0 2.0
   38    33    40    54   0.28050  1.0 3.0
   38    41    43    44   1.63150  1.0 1.0
   38    41    43    44   2.92000 -1.0 2.0
   38    50    52    53   0.15000  1.0 3.0
   38    50   -52    54   3.97050  1.0 1.0
   38    50    52    56   0.34400  1.0 1.0
   38    50    52    56   0.09450 -1.0 2.0
   38    50    52    56   0.11100  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    50    47   0.15000  1.0 3.0
   39    38    50    51   0.15000  1.0 3.0
   39    38    50    52   0.15000  1.0 3.0
   41    38    50    47  -0.95700  1.0 1.0
   41    38    50    47  -0.18200 -1.0 2.0
   41    38    50    47   0.29450  1.0 3.0
   41    38    50    51  -0.11250  1.0 3.0
   41    38    50    52  -0.95700  1.0 1.0
   41    38    50    52  -0.18200 -1.0 2.0
   41    38    50    52   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.23400  1.0 3.0
   43    44    47    49   0.23400  1.0 3.0
   43    44    47    50   0.62750  1.0 1.0
   43    44    47    50  -0.30950 -1.0 2.0
   43    44    47    50   0.27300  1.0 3.0
   44    47   -50    38   0.56750  1.0 1.0
   44    47   -50    38  -0.07550 -1.0 2.0
   44    47   -50    38   0.20000  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   3.97050  1.0 1.0
   47    50    52    56   0.34400  1.0 1.0
   47    50    52    56   0.09450 -1.0 2.0
   47    50    52    56   0.11100  1.0 3.0
   48    47    50    38   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   49    47    50    38   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   50    38    41    42   0.30150 -1.0 2.0
   50    38   -41    43   0.36750  1.0 3.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    40   0.62750  1.0 1.0
   50    52    54    40  -0.30950 -1.0 2.0
   50    52    54    40   0.27300  1.0 3.0
   50    52    54    58   0.62750  1.0 1.0
   50    52    54    58  -0.30950 -1.0 2.0
   50    52    54    58   0.27300  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    59   0.09850  1.0 1.0
   50    52    56    59   0.15250 -1.0 2.0
   50    52    56    59  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   52    54   -40    33   0.06250  1.0 1.0
   52    54   -40    33  -0.01100 -1.0 2.0
   52    54   -40    33   0.28050  1.0 3.0
   52    54    58    62   0.06250  1.0 1.0
   52    54    58    62  -0.01100 -1.0 2.0
   52    54    58    62   0.28050  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56    59    61   7.00000 -1.0 2.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    40   0.23400  1.0 3.0
   53    52    54    58   0.23400  1.0 3.0
   53    52    56    57   0.33100  1.0 3.0
   53    52    56    59   0.00000  1.0 1.0
   54    52    56    57   0.00000  1.0 1.0
   54    52    56    59   0.09850  1.0 1.0
   54    52    56    59   0.15250 -1.0 2.0
   54    52    56    59  -0.50650  1.0 3.0
   54    58    62    63   0.37050  1.0 3.0
   54    58    62    64   0.06250  1.0 1.0
   54    58    62    64  -0.01100 -1.0 2.0
   54    58    62    64   0.28050  1.0 3.0
   54    58    62    78  -0.12700  1.0 1.0
   54    58    62    78  -1.16200 -1.0 2.0
   54    58    62    78   0.58800  1.0 3.0
   55    54    40    33   0.37050  1.0 3.0
   55    54    58    62   0.37050  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33   -38    50   0.62750  1.0 1.0
   40    33   -38    50  -0.30950 -1.0 2.0
   40    33   -38    50   0.27300  1.0 3.0
   40    54    58    62  -0.53350  1.0 1.0
   40    54    58    62  -0.78350 -1.0 2.0
   40    54    58    62   0.33750  1.0 3.0
   58    54    40    33  -0.81800  1.0 1.0
   58    62    64    65   0.23400  1.0 3.0
   58    62    64    66   0.62750  1.0 1.0
   58    62    64    66  -0.30950 -1.0 2.0
   58    62    64    66   0.27300  1.0 3.0
   58    62    64    68   1.51850  1.0 1.0
   58    62    78    74  -0.70400  1.0 1.0
   58    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   56    52    54    55   0.15000  1.0 3.0
   56    52    54    40   0.61850  1.0 1.0
   56    52    54    40  -0.22750 -1.0 2.0
   56    52    54    40   0.15300  1.0 3.0
   56    52    54    58   0.61850  1.0 1.0
   56    52    54    58  -0.22750 -1.0 2.0
   56    52    54    58   0.15300  1.0 3.0
   57    56    59    60   7.00000 -1.0 2.0
   57    56    59    61   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   52    57    56    59  15.00000 -1.0 2.0
   60    61    59    56  15.00000 -1.0 2.0
END
