* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    154    245     454
    1     0 S   NP   _N1_     1    29.00854    94.22366   -24.17979
    2     1 S   H    _HN1     2     1.02785   109.67775   -84.24951
    3     1 S   H    _H1_     3     1.02953    78.72081    21.41185
    4     1 S   H    _H2_     4     1.02829    29.70486  -176.06518
    5     1 S   CT   _CA1     5     1.50107   130.82571   128.70857
    6     5 S   HC   _HA1     6     1.09574   105.20600    85.01393
    7     5 S   CO3  _C1_     7     1.53795   112.46828   -35.22205
    8     7 S   O2Z  _O11     8     1.26370   115.00495   -42.53863
    9     7 S   O2Z  _O12     9     1.26244   114.94924   136.64645
   10     5 S   CT   _CB1    10     1.53090   107.42409  -157.00697
   11    10 S   HC   HB11    11     1.09831   109.37557   -49.93589
   12    10 S   HC   HB12    12     1.09814   110.44838    66.67619
   13    10 S   CT   _CG1    13     1.52976   112.58642  -170.93185
   14    13 S   HC   HG11    14     1.09590   110.59484   -65.31244
   15    13 S   HC   HG12    15     1.09672   109.81624    53.90611
   16    13 S   C    _CD1    16     1.51793   112.30560   174.34528
   17    16 S   O    _OE1    17     1.22727   123.32069     5.07929
   18    16 S   N    _N2_    18     1.38637   111.58272  -174.94204
   19    18 S   H    _HN2    19     1.01579   118.95914     1.74395
   20    18 S   CT1  _CA2    20     1.46234   123.47628   178.15241
   21    20 S   HC   _HA2    21     1.09743   109.38375     2.03144
   22    20 S   C    _C2_    22     1.53532   108.54068  -113.44949
   23    22 S   O    _O2_    23     1.23045   122.35702  -147.73344
   24    20 S   CT   _CB2    32     1.53381   111.42797   124.05202
   25    24 S   HC   HB21    33     1.09481   109.71498    56.45681
   26    24 S   HC   HB22    34     1.09444   109.86448   175.36642
   27    22 S   N    _N3_    24     1.38355   113.65451    39.74730
   28    27 S   H    _HN3    25     1.01586   119.57612    -3.32266
   29    24 S   S    _SG2    35     1.83016   110.95639   -65.09278
   30    27 S   CT   _CA3    26     1.45285   123.20714   177.11934
   31    30 S   HC   HA31    27     1.09549   107.51996   -64.49461
   32    30 S   HC   HA32    28     1.09557   107.97800    51.94488
   33    29 S   CT   _C16    36     1.87629   101.33944   166.88979
   34    30 S   CO3  _C3_    29     1.52958   114.07356   173.95412
   35    34 S   O2Z  _O31    30     1.26376   116.06264    -0.11191
   36    34 S   O2Z  _O32    31     1.26427   114.41540   179.93744
   37    33 S   CM   _C15    37     1.51101   106.21937    64.85935
   38    37 S   HC   _H9_    38     1.09165   114.69979   -73.48444
   39    33 S   CT   _C17    75     1.55500   110.45139  -174.71806
   40    39 S   HC   _H3_    76     1.09697   110.19890    46.31567
   41    33 S   OS   _O38    81     1.44420   111.20324   -50.21119
   42    37 S   CMA  _C14    39     1.35372   128.74305   107.57561
   43    42 S   OM   _O39    40     1.26918   126.41969  -178.90050
   44    39 S   OH   _O37    77     1.44389   109.19162   159.98362
   45    44 S   HO   _H11    78     0.97531   107.09024    77.88071
   46    41 S   CT   _C20    82     1.42202   117.03189   -64.97449
   47    46 S   HC   _H12    83     1.09394   107.63994  -179.77272
   48    46 S   HC   _H13    84     1.09277   111.63290    62.32017
   49    46 S   HC   _H14    85     1.09215   111.99784   -61.60354
   50    42 S   CT   _C13    41     1.56980   119.50217    -0.37325
   51    50 S   OM   _O40    42     1.32983   108.51552   107.31542
   52    50 S   CO4  _C12    43     1.54633   110.11170  -134.66776
   53    52 S   O    _O34    44     1.22929   125.87920  -107.46461
   54    52 S   CA   _C10    45     1.47764   116.11264    70.13431
   55    54 S   CA   _C9_    46     1.38284   117.80835    37.24645
   56    54 S   CA   _C11    56     1.40892   122.16619  -143.15559
   57    55 S   CA   _C8_    47     1.39479   119.48736   179.80820
   58    57 S   HA   _H7_    48     1.08991   119.18682  -180.00000
   59    56 S   OH   _O33    57     1.37489   119.33180     0.96712
   60    59 S   HO   _H8_    58     0.97388   109.62673    -1.01336
   61    55 S   CO4  _C19    72     1.47801   121.03120     2.22387
   62    61 S   O    _O35    73     1.23139   118.44259   157.85151
   63    57 S   CA   _C7_    49     1.40396   121.37354     0.30774
   64    50 S   CT   _C18    74     1.57044   113.27646   -13.40221
   65    63 S   CA   _C21    50     1.40147   117.98719   179.45106
   66    65 S   HA   _H15    51     1.08891   119.95365    -0.21580
   67    64 S   OH   _O36    79     1.45086   111.52866   160.17024
   68    67 S   HO   _H10    80     0.97329   106.85975    17.43249
   69    65 S   CA   _C22    52     1.38720   120.82065   179.88636
   70    69 S   CA   _C23    53     1.39115   119.89994    -0.23739
   71    69 S   OH   _O43    70     1.36767   120.17838   179.82306
   72    71 S   HO   _H19    71     0.97240   109.02170    -0.50937
   73    70 S   CA   _C5_    54     1.41347   121.21054     0.47560
   74    70 S   CO4  _C24    63     1.46967   117.50790   179.50307
   75    74 S   O    _O41    64     1.21820   123.89644   -91.26938
   76    63 S   CA   _C6_    55     1.42448   121.00111    -0.56855
   77    73 S   CT   _C4_    59     1.51234   119.43538   179.63577
   78    77 S   HC   _H4_    60     1.09468   110.19355  -118.29090
   79    77 S   HC   _H5_    61     1.09308   113.49682     0.68586
   80    77 S   HC   _H6_    62     1.09472   110.20042   119.46640
   81    74 S   OS   _O42    65     1.35581   107.36890    89.15640
   82    81 S   CT   _C25    66     1.42983   114.78610   179.87180
   83    82 S   HC   _H16    67     1.09328   108.12986   179.71401
   84    82 S   HC   _H17    68     1.09433   110.31541    60.98610
   85    82 S   HC   _H18    69     1.09432   110.27622   -61.58104
  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
  17   2   1   1  12   5  15   7   7   9   4   5   1   3   2   1
   1  11   6  10   4  12  11  10  10   4   4   1   5   2   8   2
   8   4   1   1   9  12   3   1   8   8   2   4   3   2   1   1
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    64    39    40    44    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    50    61    64    39    40    44    45    67    41    46    47    48    49  
   35    36  
   36  
    0  
   38    42    43    50    51    52    64    39    40    44    41    46  
   42    43    50    39    41  
   40    44    45    67    68    41    46    42    50    51    52    55    61    62    64  
   44    45    67    41    50    61    64  
   46    47    48    49    42    44    64  
   43    50    51    52    53    54    61    64    67  
   50    51    52    64  
   45    67    50    61    64  
   64  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    61    62    64    67    68  
   52    53    54    61    64    67  
   53    54    55    57    76    56    59    61    64    67  
   54    55    56    64  
   55    57    58    63    73    76    56    59    60    61    62    64  
   57    58    63    65    76    56    59    61    62    64    67  
   59    60    77    61    57    63    65    70    73    76  
   58    63    65    66    69    73    76    61    62    64  
   63    65    76    61  
   60    63    73    76  
   76  
   62    64    67    68    63  
   64    67  
   65    66    69    70    73    76    77    71  
   67    68  
   66    69    70    73    76    74    71    72  
   69    70    76    71  
   68  
    0  
   70    73    76    77    74    75    81    71    72  
   73    76    77    78    79    80    74    75    81    82    71    72  
   72    73    74  
    0  
   76    77    78    79    80    74    75    81  
   75    81    82    83    84    85    76    77  
   81    82  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    51   570.000  1.307
   50    52   317.000  1.522
   50    64   268.000  1.529
   52    53   570.000  1.229
   52    54   310.000  1.470
   54    55   469.000  1.400
   54    56   469.000  1.400
   55    57   469.000  1.400
   55    61   310.000  1.470
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    65   469.000  1.400
   63    76   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    73   469.000  1.400
   70    74   310.000  1.470
   73    76   469.000  1.400
   73    77   317.000  1.510
   76    56   469.000  1.400
   56    59   450.000  1.364
   59    60   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   74    75   570.000  1.229
   74    81   214.000  1.327
   81    82   320.000  1.410
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   71    72   553.000  0.945
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    39   268.000  1.529
   64    67   320.000  1.410
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   67    68   553.000  0.945
   41    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    46    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    50    51    85.00000  110.90400
   42    50    52    70.00000  109.06800
   42    50    64    70.00000  112.02700
   50    42    43    85.00000  112.85300
   50    52    53    80.00000  120.40000
   50    52    54    65.00000  115.47100
   50    64    61    63.00000  111.10000
   50    64    39    58.35000  112.70000
   50    64    67    50.00000  109.50000
   52    50    51    90.00000  108.74100
   52    54    55    60.00000  119.52600
   52    54    56    60.00000  119.52600
   54    52    53    75.00000  123.78400
   54    55    57    63.00000  120.00000
   54    55    61    60.00000  119.52600
   54    56    76    63.00000  120.00000
   54    56    59    70.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    63    63.00000  120.00000
   55    61    62    75.00000  123.78400
   55    61    64    65.00000  115.47100
   57    63    65    63.00000  120.00000
   57    63    76    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    76    73    63.00000  120.00000
   63    76    56    63.00000  120.00000
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    70    74    60.00000  119.52600
   69    71    72    35.00000  113.00000
   70    73    76    63.00000  120.00000
   70    73    77    70.00000  120.00000
   70    74    75    75.00000  123.78400
   70    74    81    81.00000  111.40000
   73    76    56    63.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   76    63    65    63.00000  120.00000
   76    56    59    70.00000  120.00000
   56    54    55    63.00000  120.00000
   56    59    60    35.00000  113.00000
   77    73    76    70.00000  120.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   74    70    73    60.00000  119.52600
   74    81    82    83.00000  116.90000
   81    74    75    83.00000  123.40000
   81    82    83    35.00000  109.50000
   81    82    84    35.00000  109.50000
   81    82    85    35.00000  109.50000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   71    69    70    70.00000  120.00000
   61    55    57    60.00000  119.52600
   61    64    39    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    50    51    50.00000  109.50000
   64    50    52    63.00000  111.10000
   64    61    62    80.00000  120.40000
   64    39    40    37.50000  110.70000
   64    39    44    50.00000  109.50000
   64    67    68    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   67    64    39    50.00000  109.50000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    46   0.14700  1.0 1.0
   29    33    41    46  -1.16150 -1.0 2.0
   29    33    41    46   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   0.37050  1.0 3.0
   33    41    46    48   0.37050  1.0 3.0
   33    41    46    49   0.37050  1.0 3.0
   37    33    39    64   0.34400  1.0 1.0
   37    33    39    64   0.09450 -1.0 2.0
   37    33    39    64   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   1.05650  1.0 1.0
   37    33    39    44   0.15600 -1.0 2.0
   37    33    39    44   0.53150  1.0 3.0
   37    33    41    46  -0.77900  1.0 1.0
   37    33    41    46  -0.36900 -1.0 2.0
   37    33    41    46   0.40400  1.0 3.0
   37    42    50    51   0.39000  1.0 1.0
   37    42    50    51  -0.05800 -1.0 2.0
   37    42    50    51  -0.55150  1.0 3.0
   37    42    50    52  -0.51250  1.0 1.0
   37    42    50    52  -0.88800 -1.0 2.0
   37    42    50    52   0.08850  1.0 3.0
   37    42   -50    64   0.09850  1.0 1.0
   37    42   -50    64   0.15250 -1.0 2.0
   37    42   -50    64  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    50   7.00000 -1.0 2.0
   42    50    52    53   0.30150 -1.0 2.0
   42    50    52    54   0.65300  1.0 1.0
   42    50    52    54  -0.03850 -1.0 2.0
   42    50    52    54   0.33900  1.0 3.0
   42    50    64    61  -0.98800  1.0 1.0
   42    50    64    61   0.48800 -1.0 2.0
   42    50    64    61   0.76800  1.0 3.0
   42    50    64    39   0.34400  1.0 1.0
   42    50    64    39   0.09450 -1.0 2.0
   42    50    64    39   0.11100  1.0 3.0
   42    50    64    67   1.05650  1.0 1.0
   42    50    64    67   0.15600 -1.0 2.0
   42    50    64    67   0.53150  1.0 3.0
   43    42    50    51   0.09700  1.0 1.0
   43    42    50    51   0.15600 -1.0 2.0
   43    42    50    51  -0.50800  1.0 3.0
   43    42    50    52   0.09700  1.0 1.0
   43    42    50    52   0.15600 -1.0 2.0
   43    42    50    52  -0.50800  1.0 3.0
   43    42    50    64   0.09700  1.0 1.0
   43    42    50    64   0.15600 -1.0 2.0
   43    42    50    64  -0.50800  1.0 3.0
   50    52    54    55   2.26350  1.0 1.0
   50    52    54    55   0.76750 -1.0 2.0
   50    52    54    55   0.22500  1.0 3.0
   50    52    54    56   2.26350  1.0 1.0
   50    52    54    56   0.76750 -1.0 2.0
   50    52    54    56   0.22500  1.0 3.0
   50    64   -39    33   0.56750  1.0 1.0
   50    64   -39    33  -0.07550 -1.0 2.0
   50    64   -39    33   0.20000  1.0 3.0
   50    64    39    40   0.15000  1.0 3.0
   50    64    39    44   0.86500  1.0 1.0
   50    64    39    44  -0.17500 -1.0 2.0
   50    64    39    44   0.20800  1.0 3.0
   50    64    67    68  -0.11600  1.0 1.0
   50    64    67    68  -0.09450 -1.0 2.0
   50    64    67    68   0.21250  1.0 3.0
   51    50    52    53   0.30150 -1.0 2.0
   51    50    52    54   0.65300  1.0 1.0
   51    50    52    54  -0.03850 -1.0 2.0
   51    50    52    54   0.33900  1.0 3.0
   51    50    64    61  -0.09450  1.0 1.0
   51    50    64    61  -1.12950 -1.0 2.0
   51    50    64    61   0.54000  1.0 3.0
   51    50    64    39   0.62750  1.0 1.0
   51    50    64    39  -0.30950 -1.0 2.0
   51    50    64    39   0.27300  1.0 3.0
   51    50    64    67   3.69350  1.0 1.0
   51    50    64    67  -1.82950 -1.0 2.0
   52    50    64    61   0.11950  1.0 1.0
   52    50    64    61   0.20300 -1.0 2.0
   52    50    64    61  -0.70800  1.0 3.0
   52    50    64    39  -0.95700  1.0 1.0
   52    50    64    39  -0.18200 -1.0 2.0
   52    50    64    39   0.29450  1.0 3.0
   52    50    64    67  -0.09450  1.0 1.0
   52    50    64    67  -1.12950 -1.0 2.0
   52    50    64    67   0.54000  1.0 3.0
   52    54    55    57   3.62500 -1.0 2.0
   52    54   -55    61   3.62500 -1.0 2.0
   52    54    56    76   3.62500 -1.0 2.0
   52    54    56    59   3.62500 -1.0 2.0
   53    52    54    55   1.05000 -1.0 2.0
   53    52    54    56   1.05000 -1.0 2.0
   54    55    57    58   3.62500 -1.0 2.0
   54    55    57    63   3.62500 -1.0 2.0
   54    55    61    62   1.05000 -1.0 2.0
   54    55    61    64   2.26350  1.0 1.0
   54    55    61    64   0.76750 -1.0 2.0
   54    55    61    64   0.22500  1.0 3.0
   54    56    59    60   0.84100 -1.0 2.0
   55    54    56    76   3.62500 -1.0 2.0
   55    54    56    59   3.62500 -1.0 2.0
   55    57    63    65   3.62500 -1.0 2.0
   55    57   -63    76   3.62500 -1.0 2.0
   55    61   -64    50   0.05850 -1.0 2.0
   55    61   -64    50   0.17250  1.0 3.0
   55    61    64    39   0.05850 -1.0 2.0
   55    61    64    39   0.17250  1.0 3.0
   55    61    64    67   0.65300  1.0 1.0
   55    61    64    67  -0.03850 -1.0 2.0
   55    61    64    67   0.33900  1.0 3.0
   57    55    61    62   1.05000 -1.0 2.0
   57    55    61    64   2.26350  1.0 1.0
   57    55    61    64   0.76750 -1.0 2.0
   57    55    61    64   0.22500  1.0 3.0
   57    63    65    66   3.62500 -1.0 2.0
   57    63    65    69   3.62500 -1.0 2.0
   57    63    76    73   3.62500 -1.0 2.0
   57    63    76    56   3.62500 -1.0 2.0
   58    57    63    65   3.62500 -1.0 2.0
   58    57    63    76   3.62500 -1.0 2.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    76   -56    54   3.62500 -1.0 2.0
   63    76    56    59   3.62500 -1.0 2.0
   65    63    76    73   3.62500 -1.0 2.0
   65    63    76    56   3.62500 -1.0 2.0
   65    69   -70    73   3.62500 -1.0 2.0
   65    69    70    74   3.62500 -1.0 2.0
   65    69    71    72   0.84100 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    73    76   3.62500 -1.0 2.0
   69    70    73    77   3.62500 -1.0 2.0
   69    70    74    75   1.05000 -1.0 2.0
   69    70    74    81   0.98750 -1.0 2.0
   70    69    71    72   0.84100 -1.0 2.0
   70    73   -76    63   3.62500 -1.0 2.0
   70    73    76    56   3.62500 -1.0 2.0
   70    73    77    78   0.00000  1.0 1.0
   70    73    77    79   0.00000  1.0 1.0
   70    73    77    80   0.00000  1.0 1.0
   70    74    81    82   0.59950  1.0 1.0
   70    74    81    82   3.24850 -1.0 2.0
   73    70    74    75   1.05000 -1.0 2.0
   73    70    74    81   0.98750 -1.0 2.0
   73    76    56    54   3.62500 -1.0 2.0
   73    76    56    59   3.62500 -1.0 2.0
   76    63    65    66   3.62500 -1.0 2.0
   76    63   -65    69   3.62500 -1.0 2.0
   76    73    77    78   0.00000  1.0 1.0
   76    73    77    79   0.00000  1.0 1.0
   76    73    77    80   0.00000  1.0 1.0
   76    56    59    60   0.84100 -1.0 2.0
   56    54   -55    57   3.62500 -1.0 2.0
   56    54    55    61   3.62500 -1.0 2.0
   77    73    76    63   3.62500 -1.0 2.0
   77    73    76    56   3.62500 -1.0 2.0
   74    70    73    76   3.62500 -1.0 2.0
   74    70    73    77   3.62500 -1.0 2.0
   74    81    82    83   0.08050  1.0 3.0
   74    81    82    84   0.08050  1.0 3.0
   74    81    82    85   0.08050  1.0 3.0
   75    74    81    82   3.00000 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   61    55    57    58   3.62500 -1.0 2.0
   61    55    57    63   3.62500 -1.0 2.0
   61    64    39    33  -0.95700  1.0 1.0
   61    64    39    33  -0.18200 -1.0 2.0
   61    64    39    33   0.29450  1.0 3.0
   61    64    39    40  -0.11250  1.0 3.0
   61    64    39    44  -0.09450  1.0 1.0
   61    64    39    44  -1.12950 -1.0 2.0
   61    64    39    44   0.54000  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    50   0.30150 -1.0 2.0
   62    61    64    39   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    50    52    53   0.30150 -1.0 2.0
   64    50   -52    54   0.05850 -1.0 2.0
   64    50   -52    54   0.17250  1.0 3.0
   64    39    44    45  -0.11600  1.0 1.0
   64    39    44    45  -0.09450 -1.0 2.0
   64    39    44    45   0.21250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33   -37    42   0.09850  1.0 1.0
   39    33   -37    42   0.15250 -1.0 2.0
   39    33   -37    42  -0.50650  1.0 3.0
   39    33    41    46   0.06250  1.0 1.0
   39    33    41    46  -0.01100 -1.0 2.0
   39    33    41    46   0.28050  1.0 3.0
   39    64    67    68  -0.11600  1.0 1.0
   39    64    67    68  -0.09450 -1.0 2.0
   39    64    67    68   0.21250  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   67    64    39    33   0.86500  1.0 1.0
   67    64    39    33  -0.17500 -1.0 2.0
   67    64    39    33   0.20800  1.0 3.0
   67    64    39    40   0.23400  1.0 3.0
   67    64    39    44   3.75450  1.0 1.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    64   0.62750  1.0 1.0
   41    33    39    64  -0.30950 -1.0 2.0
   41    33    39    64   0.27300  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   3.69350  1.0 1.0
   41    33    39    44  -1.82950 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   55    56    54    52   4.00000 -1.0 2.0
   57    61    55    54   4.00000 -1.0 2.0
   63    58    57    55   1.10000 -1.0 2.0
   65    76    63    57   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   73    74    70    69   4.00000 -1.0 2.0
   76    77    73    70   4.00000 -1.0 2.0
   73    56    76    63   4.00000 -1.0 2.0
   76    59    56    54   4.00000 -1.0 2.0
   70    81    74    75  10.50000 -1.0 2.0
   55    64    61    62  10.50000 -1.0 2.0
END
