* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    242     460
    1     0 S   NP   _N1_     1    29.65665    92.95412   -26.11044
    2     1 S   H    _HN1     2     1.02791   122.86073  -102.86575
    3     1 S   H    _H1_     3     1.02948    91.01225     9.87629
    4     1 S   H    _H2_     4     1.02829    18.43064  -141.39219
    5     1 S   CT   _CA1     5     1.50121   109.71271   122.02753
    6     5 S   HC   _HA1     6     1.09574   105.17540    78.91425
    7     5 S   CO3  _C1_     7     1.53775   112.42980   -41.30148
    8     7 S   O2Z  _O11     8     1.26375   115.00677   -43.29698
    9     7 S   O2Z  _O12     9     1.26235   114.93846   135.72553
   10     5 S   CT   _CB1    10     1.53064   107.40842  -163.12610
   11    10 S   HC   HB11    11     1.09839   109.34530   -49.53586
   12    10 S   HC   HB12    12     1.09811   110.47327    67.06203
   13    10 S   CT   _CG1    13     1.53010   112.62406  -170.48122
   14    13 S   HC   HG11    14     1.09575   110.69644   -66.64248
   15    13 S   HC   HG12    15     1.09670   109.73274    52.60469
   16    13 S   C    _CD1    16     1.51810   112.06183   173.07105
   17    16 S   O    _OE1    17     1.22757   123.21359    10.44291
   18    16 S   N    _N2_    18     1.38647   111.78637  -169.65238
   19    18 S   H    _HN2    19     1.01581   119.03759     1.02946
   20    18 S   CT1  _CA2    20     1.46168   123.33476   176.92108
   21    20 S   HC   _HA2    21     1.09755   109.23431     5.45521
   22    20 S   C    _C2_    22     1.53617   109.07025  -109.94399
   23    22 S   O    _O2_    23     1.23076   122.21439  -150.39198
   24    20 S   CT   _CB2    32     1.53247   111.68870   127.27073
   25    24 S   HC   HB21    33     1.09584   110.46433    56.25848
   26    24 S   HC   HB22    34     1.09365   109.94441   175.18029
   27    22 S   N    _N3_    24     1.38305   113.84384    37.22877
   28    27 S   H    _HN3    25     1.01557   119.57583    -3.59456
   29    24 S   S    _SG2    35     1.82653   111.44798   -64.39222
   30    27 S   CT   _CA3    26     1.45278   123.27471   177.01233
   31    30 S   HC   HA31    27     1.09549   107.54109   -63.91469
   32    30 S   HC   HA32    28     1.09555   107.96212    52.53585
   33    29 S   CT   _C19    36     1.86111    99.61437  -168.90903
   34    33 S   HC   _H3_    37     1.10151   103.75700   -15.72751
   35    30 S   CO3  _C3_    29     1.52970   114.03828   174.50118
   36    35 S   O2Z  _O31    30     1.26382   116.06442    -0.71107
   37    35 S   O2Z  _O32    31     1.26423   114.42184   179.34808
   38    33 S   CT   _C17    38     1.56846   114.41441    97.80117
   39    38 S   HC   _H39    39     1.08362   109.23135   125.46945
   40    33 S   CT   _C20    62     1.60326   112.37108  -129.04521
   41    40 S   OM   _O21    63     1.33497   106.10371    70.04880
   42    38 S   CT   _C16    40     1.54516   121.47587    -3.54696
   43    42 S   HC   _H38    41     1.09257   114.22464    22.37720
   44    40 S   CT   _C23    64     1.55165   111.74022  -177.32248
   45    44 S   HC   _H48    65     1.09897   111.65843   -51.40632
   46    44 S   HC   _H49    66     1.09930   111.95032  -171.33970
   47    44 S   HC   _H50    67     1.09124   113.11895    68.85168
   48    42 S   CM   _C6_    42     1.49317   100.12450   -95.50482
   49    42 S   CT   _C18    49     1.56278   112.03966   144.32321
   50    49 S   HC   _H40    50     1.09842   109.47940    40.87340
   51    48 S   CO4  _C8_    43     1.47041   109.65242   -22.44160
   52    51 S   O    _O23    44     1.21705   127.19407  -169.01728
   53    48 S   CM   _C9_    46     1.33615   128.35386   153.42518
   54    53 S   HC   _H30    47     1.08495   120.72774     2.13341
   55    53 S   HC   _H31    48     1.08505   121.77239  -177.59149
   56    49 S   CT   _C13    51     1.55262   113.04466   -82.63589
   57    56 S   HC   _H33    52     1.09893   108.69815   -72.17392
   58    56 S   HC   _H34    53     1.09704   109.60998   174.13525
   59    49 S   OS   _O27    71     1.45183   108.08971   160.25520
   60    38 S   OS   _O26    45     1.45933   107.49782  -123.71697
   61    56 S   CM   _C5_    54     1.48106   114.26275    50.31635
   62    59 S   CO4  _C12    72     1.36007   117.49561  -151.94229
   63    62 S   O    _O24    73     1.21881   126.78554    -0.38664
   64    61 S   CM   _C4_    55     1.33030   128.29339   -93.81043
   65    64 S   HC   _H29    56     1.08055   124.70692    -4.86353
   66    62 S   CM   _C10    74     1.48208   107.08350   178.84937
   67    66 S   HC   _H32    75     1.08778   115.06305   -20.34678
   68    64 S   CT   _C15    57     1.47294   111.06192   169.98710
   69    68 S   HC   _H37    58     1.09710   108.80286   117.08821
   70    66 S   CM   _C11    76     1.34552   125.53440   160.77616
   71    68 S   CT   _C14    59     1.54126   115.65082  -121.00606
   72    71 S   HC   _H35    60     1.10373   104.51725  -173.38049
   73    71 S   HC   _H36    61     1.10112   106.80448   -63.01294
   74    68 S   OS   _O25    68     1.42999   104.01166     3.17021
   75    70 S   CT   _C21    77     1.50721   119.79670   177.43006
   76    75 S   HC   _H42    78     1.09498   110.32009   118.36340
   77    75 S   HC   _H43    79     1.09521   112.44791    -1.80461
   78    75 S   HC   _H44    80     1.09505   110.16486  -121.79791
   79    70 S   CT   _C22    81     1.50338   126.18279    -3.27978
   80    79 S   HC   _H45    82     1.09454   110.14720   105.22157
   81    79 S   HC   _H46    83     1.09165   113.53213   -16.81450
   82    79 S   HC   _H47    84     1.09583   110.12102  -135.56379
   83    61 S   CO4  _C7_    69     1.46784   124.85584    79.98326
   84    83 S   O    _O22    70     1.21843   125.59058     7.87405
  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
  19   8   2   1   1  16   7  14   8  16   8   7   3   2   1  10
  14   6   5   2   3   1   1  11   5   4   6   1   8   6   3   9
   5  10   3   7   5   8   4   2   1   2   7   3   2   1   3   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    60    71    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    51    60    49    68    71    72    73    40    41    44    45    46    47  
   38    39    42    60    71    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    51    52    60    53    49    50    56    71    40    41    44    59  
   42    43    48    51    60    49    40  
   41    44    45    46    47    74    42    60    64    68    69    71    72    73  
   44    45    46    47    68    71    72    73  
   43    48    51    52    60    53    54    55    49    50    56    57    58    61    59    62  
   48    51    60    53    49    50    56    59  
   45    46    47    68    71    72    73  
   46    47    71  
   47    71  
   71  
   51    52    60    53    54    55    49    50    56    59  
   50    56    57    58    61    64    83    59    62    63    66    51    53    60  
   56    57    58    61    59    62  
   52    60    53    54    55  
   60    53  
   54    55    60  
   55  
    0  
   57    58    61    64    65    68    74    83    84    59    62  
   58    61    64    83    59  
   61    64    83    59  
   62    63    66    67    70    61  
    0  
   64    65    68    69    71    74    83    84  
   63    66    67    70    75    79  
   66    67    70  
   65    68    69    71    72    73    74    83    84  
   68    69    71    74    83  
   67    70    75    76    77    78    79    80    81    82  
   70    75    79  
   69    71    72    73    74    83    84  
   71    72    73    74    83  
   75    76    77    78    79    80    81    82  
   72    73    74    83  
   73    74  
   74  
   83    84  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    51   320.000  1.462
   48    53   549.000  1.340
   51    52   570.000  1.229
   51    60   214.000  1.327
   53    54   340.000  1.080
   53    55   340.000  1.080
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    64   549.000  1.340
   61    83   320.000  1.462
   64    65   340.000  1.080
   64    68   317.000  1.510
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   74    83   214.000  1.327
   83    84   570.000  1.229
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    75   317.000  1.510
   70    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    71    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    51    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    51    65.00000  116.34900
   42    48    53    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    56    58.35000  112.70000
   42    49    59    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    51    52    80.00000  123.72100
   48    51    60    90.00000  111.29400
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    51    52    83.00000  123.40000
   53    48    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    70.00000  112.02700
   49    59    62    83.00000  116.90000
   56    49    50    37.50000  110.70000
   56    61    64    70.00000  124.00000
   56    61    83    65.00000  116.34900
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    64    65    35.00000  120.00000
   61    64    68    70.00000  124.00000
   61    83    74    90.00000  111.29400
   61    83    84    80.00000  123.72100
   64    68    69    35.00000  109.50000
   64    68    71    70.00000  112.02700
   64    68    74    85.00000  110.90400
   68    64    65    35.00000  117.00000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    40    58.35000  112.70000
   68    74    83    83.00000  116.90000
   71    68    69    37.50000  110.70000
   71    40    41    50.00000  109.50000
   71    40    44    58.35000  112.70000
   73    71    72    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    71    73    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   74    68    69    35.00000  109.50000
   74    68    71    50.00000  109.50000
   74    83    84    83.00000  123.40000
   83    61    64    65.00000  118.96000
   59    49    50    35.00000  109.50000
   59    49    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    66    90.00000  111.29400
   62    66    67    40.00000  117.72500
   62    66    70    65.00000  118.96000
   66    62    63    80.00000  123.72100
   66    70    75    70.00000  124.00000
   66    70    79    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   70    79    80    35.00000  109.50000
   70    79    81    35.00000  109.50000
   70    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    70    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    51  -0.25900  1.0 1.0
   33    38    60    51  -0.47000 -1.0 2.0
   33    38    60    51   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    71   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    51   0.09700  1.0 1.0
   38    42   -48    51   0.15600 -1.0 2.0
   38    42   -48    51  -0.50800  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    56   0.56750  1.0 1.0
   38    42    49    56  -0.07550 -1.0 2.0
   38    42    49    56   0.20000  1.0 3.0
   38    42    49    59   0.62750  1.0 1.0
   38    42    49    59  -0.30950 -1.0 2.0
   38    42    49    59   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    51   0.08050  1.0 3.0
   42    38   -60    51  -0.25900  1.0 1.0
   42    38   -60    51  -0.47000 -1.0 2.0
   42    38   -60    51   0.11750  1.0 3.0
   42    48    51    52  -0.64400  1.0 1.0
   42    48    51    52   0.26850 -1.0 2.0
   42    48   -51    60  -0.15000  1.0 1.0
   42    48   -51    60   0.89550 -1.0 2.0
   42    48   -51    60  -0.06900  1.0 3.0
   42    48    53    54   7.00000 -1.0 2.0
   42    48    53    55   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    61   0.34400  1.0 1.0
   42    49    56    61   0.09450 -1.0 2.0
   42    49    56    61   0.11100  1.0 3.0
   42    49    59    62  -0.25900  1.0 1.0
   42    49    59    62  -0.47000 -1.0 2.0
   42    49    59    62   0.11750  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    59   0.23400  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    56   0.34400  1.0 1.0
   48    42    49    56   0.09450 -1.0 2.0
   48    42    49    56   0.11100  1.0 3.0
   48    42    49    59   0.61850  1.0 1.0
   48    42    49    59  -0.22750 -1.0 2.0
   48    42    49    59   0.15300  1.0 3.0
   48    51   -60    38   2.00000 -1.0 2.0
   51    48    53    54   7.00000 -1.0 2.0
   51    48    53    55   7.00000 -1.0 2.0
   52    51    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   53    48    51    52   1.00000 -1.0 2.0
   53    48    51    60  -0.56150  1.0 1.0
   53    48    51    60   2.19150 -1.0 2.0
   49    42    48    51   0.09700  1.0 1.0
   49    42    48    51   0.15600 -1.0 2.0
   49    42    48    51  -0.50800  1.0 3.0
   49    42    48    53   0.09850  1.0 1.0
   49    42    48    53   0.15250 -1.0 2.0
   49    42    48    53  -0.50650  1.0 3.0
   49    56    61    64   0.09850  1.0 1.0
   49    56    61    64   0.15250 -1.0 2.0
   49    56    61    64  -0.50650  1.0 3.0
   49    56    61    83   0.09700  1.0 1.0
   49    56    61    83   0.15600 -1.0 2.0
   49    56    61    83  -0.50800  1.0 3.0
   49    59    62    63   3.00000 -1.0 2.0
   49    59    62    66   2.00000 -1.0 2.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   50    49    59    62   0.08050  1.0 3.0
   56    49    59    62  -0.25900  1.0 1.0
   56    49    59    62  -0.47000 -1.0 2.0
   56    49    59    62   0.11750  1.0 3.0
   56    61    64    65   7.00000 -1.0 2.0
   56    61    64    68   7.00000 -1.0 2.0
   56    61    83    74  -0.15000  1.0 1.0
   56    61    83    74   0.89550 -1.0 2.0
   56    61    83    74  -0.06900  1.0 3.0
   56    61    83    84  -0.64400  1.0 1.0
   56    61    83    84   0.26850 -1.0 2.0
   57    56    61    64   0.00000  1.0 1.0
   57    56    61    83   0.15000  1.0 3.0
   58    56    61    64   0.00000  1.0 1.0
   58    56    61    83   0.15000  1.0 3.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    71   0.09850  1.0 1.0
   61    64    68    71   0.15250 -1.0 2.0
   61    64    68    71  -0.50650  1.0 3.0
   61    64   -68    74   0.39000  1.0 1.0
   61    64   -68    74  -0.05800 -1.0 2.0
   61    64   -68    74  -0.55150  1.0 3.0
   64    61   -83    74  -0.56150  1.0 1.0
   64    61   -83    74   2.19150 -1.0 2.0
   64    61    83    84   1.00000 -1.0 2.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    40   0.34400  1.0 1.0
   64    68    71    40   0.09450 -1.0 2.0
   64    68    71    40   0.11100  1.0 3.0
   64    68   -74    83  -0.82050  1.0 1.0
   64    68   -74    83   0.00600 -1.0 2.0
   64    68   -74    83   0.04400  1.0 3.0
   65    64    68    69   0.33100  1.0 3.0
   65    64    68    71   0.00000  1.0 1.0
   65    64    68    74   0.00000  1.0 1.0
   68    71    40    33   0.56750  1.0 1.0
   68    71    40    33  -0.07550 -1.0 2.0
   68    71    40    33   0.20000  1.0 3.0
   68    71    40    41   0.62750  1.0 1.0
   68    71    40    41  -0.30950 -1.0 2.0
   68    71    40    41   0.27300  1.0 3.0
   68    71    40    44   0.56750  1.0 1.0
   68    71    40    44  -0.07550 -1.0 2.0
   68    71    40    44   0.20000  1.0 3.0
   68    74   -83    61   2.00000 -1.0 2.0
   68    74    83    84   3.00000 -1.0 2.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    40   0.15000  1.0 3.0
   69    68    74    83   0.08050  1.0 3.0
   71    68    74    83  -0.25900  1.0 1.0
   71    68    74    83  -0.47000 -1.0 2.0
   71    68    74    83   0.11750  1.0 3.0
   71    40    44    45   0.15000  1.0 3.0
   71    40    44    46   0.15000  1.0 3.0
   71    40    44    47   0.15000  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.23400  1.0 3.0
   72    71    40    44   0.15000  1.0 3.0
   73    71    40    33   0.15000  1.0 3.0
   73    71    40    41   0.23400  1.0 3.0
   73    71    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   74    68    71    72   0.23400  1.0 3.0
   74    68    71    73   0.23400  1.0 3.0
   74    68    71    40   0.62750  1.0 1.0
   74    68    71    40  -0.30950 -1.0 2.0
   74    68    71    40   0.27300  1.0 3.0
   83    61    64    65   7.00000 -1.0 2.0
   83    61   -64    68   7.00000 -1.0 2.0
   59    49    56    57   0.23400  1.0 3.0
   59    49    56    58   0.23400  1.0 3.0
   59    49    56    61   0.61850  1.0 1.0
   59    49    56    61  -0.22750 -1.0 2.0
   59    49    56    61   0.15300  1.0 3.0
   59    62    66    67   1.63100 -1.0 2.0
   59    62    66    70  -0.56150  1.0 1.0
   59    62    66    70   2.19150 -1.0 2.0
   62    66    70    75   7.00000 -1.0 2.0
   62    66    70    79   7.00000 -1.0 2.0
   63    62    66    67   0.00000  1.0 1.0
   63    62    66    70   1.00000 -1.0 2.0
   66    70    75    76   0.00000  1.0 1.0
   66    70    75    77   0.00000  1.0 1.0
   66    70    75    78   0.00000  1.0 1.0
   66    70    79    80   0.00000  1.0 1.0
   66    70    79    81   0.00000  1.0 1.0
   66    70    79    82   0.00000  1.0 1.0
   67    66    70    75   7.00000 -1.0 2.0
   67    66    70    79   7.00000 -1.0 2.0
   75    70    79    80   0.34800  1.0 3.0
   75    70    79    81   0.34800  1.0 3.0
   75    70    79    82   0.34800  1.0 3.0
   79    70    75    76   0.34800  1.0 3.0
   79    70    75    77   0.34800  1.0 3.0
   79    70    75    78   0.34800  1.0 3.0
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
   42    51    48    53   1.10000 -1.0 2.0
   48    60    51    52  10.50000 -1.0 2.0
   54    55    53    48   1.10000 -1.0 2.0
   56    83    61    64   1.10000 -1.0 2.0
   68    65    64    61   1.10000 -1.0 2.0
   61    74    83    84  10.50000 -1.0 2.0
   59    66    62    63  10.50000 -1.0 2.0
   62    67    66    70  15.00000 -1.0 2.0
   75    79    70    66  15.00000 -1.0 2.0
END
