* LIGAND DATABASE FILE (OPLS2005)
*
001      87    91    164    268     488
    1     0 S   NP   _N1_     1    28.78714    95.58451   -20.89500
    2     1 S   H    _HN1     2     1.02780    87.44316   -87.89342
    3     1 S   H    _H1_     3     1.02954    83.21492    20.94230
    4     1 S   H    _H2_     4     1.02830    38.88972   149.06383
    5     1 S   CT   _CA1     5     1.50124   149.37559   140.16871
    6     5 S   HC   _HA1     6     1.09567   105.21760    65.13226
    7     5 S   CO3  _C1_     7     1.53798   112.46792   -55.13387
    8     7 S   O2Z  _O11     8     1.26380   115.01786   -40.53598
    9     7 S   O2Z  _O12     9     1.26230   115.01175   138.79366
   10     5 S   CT   _CB1    10     1.53106   107.42693  -176.79081
   11    10 S   HC   HB11    11     1.09824   109.45486   -48.78491
   12    10 S   HC   HB12    12     1.09821   110.37370    67.84234
   13    10 S   CT   _CG1    13     1.52987   112.64978  -169.79109
   14    13 S   HC   HG11    14     1.09578   110.53040   -63.41484
   15    13 S   HC   HG12    15     1.09658   109.93196    55.80442
   16    13 S   C    _CD1    16     1.51812   112.33679   176.21069
   17    16 S   O    _OE1    17     1.22716   123.32267     0.07662
   18    16 S   N    _N2_    18     1.38614   111.56730   179.96574
   19    18 S   H    _HN2    19     1.01599   118.93976     1.74451
   20    18 S   CT1  _CA2    20     1.46278   123.49054  -179.85735
   21    20 S   HC   _HA2    21     1.09732   109.39156    -8.76125
   22    20 S   C    _C2_    22     1.53385   108.45766  -124.35021
   23    22 S   O    _O2_    23     1.23029   122.38026  -148.26503
   24    20 S   CT   _CB2    32     1.53312   111.19314   113.32678
   25    24 S   HC   HB21    33     1.09579   109.66725    55.37701
   26    24 S   HC   HB22    34     1.09499   110.91257   174.01005
   27    22 S   N    _N3_    24     1.38367   113.47265    39.25416
   28    27 S   H    _HN3    25     1.01641   119.48389    -3.60761
   29    24 S   S    _SG2    35     1.82808   111.27864   -66.65127
   30    27 S   CT   _CA3    26     1.45284   123.13488   176.96559
   31    30 S   HC   HA31    27     1.09554   107.52827   -63.78886
   32    30 S   HC   HA32    28     1.09560   107.94459    52.61895
   33    29 S   CT   _C22    36     1.84375    99.46837   141.34057
   34    33 S   HC   _H7_    37     1.09579   105.42262   -53.62733
   35    30 S   CO3  _C3_    29     1.52937   114.13249   174.59898
   36    35 S   O2Z  _O31    30     1.26367   116.05838    -0.81301
   37    35 S   O2Z  _O32    31     1.26430   114.41215   179.24775
   38    33 S   CT   _C21    38     1.54313   112.57430  -171.24052
   39    38 S   HC   _H6_    39     1.09913   108.19738   171.51039
   40    38 S   CT   _C7_    40     1.55651   112.22368   -70.85957
   41    40 S   HC   _H5_    41     1.10085   106.85822    79.66513
   42    38 S   CO4  _C24    81     1.52812   110.46481    56.36846
   43    42 S   O    _O38    82     1.22375   125.03296  -111.88811
   44    40 S   CT   _C8_    42     1.54322   111.27883  -167.58837
   45    44 S   HC   _H12    43     1.09633   109.67801   -41.40487
   46    44 S   HC   _H13    44     1.09421   109.65335  -154.68301
   47    40 S   CT   _C6_    68     1.56016   110.65659   -34.64664
   48    47 S   HC   _H4_    69     1.10208   104.14325    93.56043
   49    42 S   OS   _O39    83     1.36592   109.49473    68.25202
   50    44 S   CA   _C9_    45     1.49265   116.63954    82.75315
   51    47 S   CO   _C23    70     1.55032   111.91565   -18.10131
   52    51 S   HC   _H8_    71     1.09610   108.88625   176.39261
   53    49 S   CT   _C25    84     1.43090   115.24892  -178.46915
   54    53 S   HC   _H21    85     1.09314   108.09042   175.77886
   55    53 S   HC   _H22    86     1.09416   110.36446    57.03850
   56    53 S   HC   _H23    87     1.09397   110.10868   -65.49981
   57    50 S   CR3  _C10    46     1.39228   125.13836    57.24046
   58    33 S   OS   _O36    72     1.42718   109.93777    60.49313
   59    51 S   OH   _O37    73     1.42009   112.03267   -65.28208
   60    59 S   HO   _H20    74     0.97226   107.00421  -152.92105
   61    57 S   CA   _C17    47     1.39197   121.95373   174.59057
   62    57 S   NA   _N4_    65     1.37949   130.65935    -7.65699
   63    61 S   CA   _C18    48     1.40551   118.72689     1.01124
   64    63 S   HA   _H17    49     1.08603   120.39480   179.86012
   65    61 S   C56B _C16    56     1.42762   107.61361  -178.52488
   66    62 S   CT   _C5_    66     1.46261   124.94146    -5.76412
   67    66 S   HC   _H3_    67     1.09860   105.04563  -155.53806
   68    63 S   CA   _C19    50     1.39960   118.51500    -0.06853
   69    65 S   CA   _C15    57     1.41238   133.36985   178.72405
   70    69 S   HA   _H16    58     1.08608   120.13932     0.18557
   71    66 S   CT   _C4_    75     1.53159   111.52117    91.19030
   72    71 S   HC   _H9_    76     1.09075   113.24020   -56.02992
   73    71 S   HC   _H10    77     1.09479   110.98283  -178.19095
   74    71 S   HC   _H11    78     1.09641   110.19996    62.91975
   75    50 S   NAP  _N5_    51     1.33973   118.49533  -127.23051
   76    75 S   H    _H18    52     1.02260   118.61628     3.64218
   77    68 S   CO3  _C20    53     1.49832   122.17227   179.82306
   78    77 S   O2Z  _O34    54     1.26977   115.23387   179.39639
   79    77 S   O2Z  _O33    55     1.26783   118.04787    -0.61612
   80    69 S   CA   _C14    59     1.39682   119.02813  -179.58222
   81    80 S   CA   _C13    60     1.38813   121.33391    -0.05595
   82    81 S   HA   _H15    61     1.08708   120.18207   179.86878
   83    80 S   OH   _O35    79     1.36769   120.70012   179.86294
   84    83 S   HO   _H19    80     0.97241   108.63021    -0.01978
   85    81 S   CA   _C12    62     1.39712   120.45677    -0.20077
   86    85 S   HA   _H14    63     1.08520   119.88776   179.92087
   87    65 S   C56A _C11    64     1.39741   107.50070    -1.25803
  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  16   8  20   9   9   2  13   5   4  16   8
   4  11   8   4   3   2   1   1  14   3   2   1  13  14  10   4
  10   7   5   5   8   4   4   2   1   1   4   1   2   1   1   7
   6   4   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    51    52    58    59    42    43    49  
   38    39    40    51    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    66    47    48    51    58    42    43    49    53  
   40    41    44    47    58    42    43    49  
   41    44    45    46    50    57    75    62    66    67    47    48    51    52    58    59    71    42    43    49  
   44    45    46    50    66    47    48    51    42  
   43    49    53    54    55    56    44    47    58  
   49    53  
   45    46    50    57    61    68    75    76    62    66    47    48    51  
   46    50    57    75    47  
   50    57    75    47  
   48    51    52    58    59    60    71    72    73    74    50    57    62    66    67    87  
   51    52    58    59    71    62    66    67  
   53    54    55    56  
   57    61    63    68    75    76    77    65    87    62    66  
   52    58    59    60    71    62    66    67  
   58    59    60    66  
   54    55    56  
   55    56  
   56  
    0  
   61    63    64    68    75    76    65    69    85    87    62    66    67    71  
   59    60    66  
   60    66  
    0  
   63    64    68    75    77    65    69    70    80    85    87    62    66  
   66    67    71    72    73    74    63    65    69    75    81    85    86    87  
   64    68    75    76    77    78    79    65    69    87  
   68    75    77    65  
   69    70    80    81    85    86    87    66    83    68  
   67    71    72    73    74    85    87  
   71    72    73    74    87  
   75    76    77    78    79  
   70    80    81    82    85    87    83    84  
   80    81    87    83  
   72    73    74    87  
   73    74  
   74  
    0  
   76    77    78    79  
   77  
   78    79  
   79  
    0  
   81    82    85    86    87    83    84  
   82    85    86    87    83    84  
   85    86    87    83  
   84    85  
    0  
   86    87  
   87  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700   0.020100   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.222400   2.5000   1.7750   0.001000000  -0.843144165
   62   3.2500   0.1700  -0.133300   1.8650   1.6500   0.001000000  -0.511443539
   63   3.5500   0.0700  -0.240800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660   0.151300   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.200300   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.2500   0.1700  -0.244500   1.9750   1.7500   0.001000000  -0.511443539
   76   0.0000   0.0000   0.368100   0.9960   0.8600   0.030040813  -0.651083722
   77   3.7500   0.1050   0.715000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    57   490.000  1.398
   50    75   485.000  1.342
   57    61   490.000  1.398
   57    62   483.000  1.339
   61    63   469.000  1.400
   61    65   469.000  1.404
   63    64   367.000  1.080
   63    68   469.000  1.400
   68    75   485.000  1.342
   68    77   400.000  1.490
   75    76   475.000  1.020
   77    78   656.000  1.250
   77    79   656.000  1.250
   65    69   469.000  1.404
   65    87   447.000  1.419
   69    70   367.000  1.080
   69    80   469.000  1.400
   80    81   469.000  1.400
   80    83   450.000  1.364
   81    82   367.000  1.080
   81    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    62   428.000  1.380
   62    66   320.000  1.443
   66    67   340.000  1.090
   66    47   268.000  1.529
   66    71   268.000  1.529
   47    48   340.000  1.090
   47    51   250.000  1.527
   51    52   340.000  1.090
   51    58   320.000  1.380
   51    59   380.000  1.407
   59    60   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   83    84   553.000  0.945
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    58    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    70.00000  112.17500
   40    47    66    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    51    75.00000  109.43000
   44    40    41    37.50000  110.70000
   44    50    57    80.00000  105.07000
   44    50    75    70.00000  116.21300
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    57    61    60.00000  130.80000
   50    57    62    70.00000  124.00000
   50    75    68    70.00000  123.81700
   50    75    76    45.00000  117.56800
   57    61    63    70.00000  112.88000
   57    61    65    63.00000  120.00000
   57    62    87    70.00000  114.00000
   57    62    66    70.00000  114.00000
   61    63    64    35.00000  120.00000
   61    63    68    63.00000  120.00000
   61    65    69    65.00000  119.97700
   61    65    87    85.00000  116.20000
   63    68    75    70.00000  119.29800
   63    68    77    85.00000  120.00000
   68    63    64    35.00000  120.00000
   68    75    76    45.00000  117.56800
   68    77    78    80.00000  120.40000
   68    77    79    80.00000  120.40000
   75    50    57    70.00000  119.29800
   77    68    75    75.00000  117.56100
   79    77    78    80.00000  126.00000
   65    61    63    63.00000  120.00000
   65    69    70    35.00000  120.00000
   65    69    80    63.00000  120.00000
   65    87    85    85.00000  122.70000
   65    87    62    70.00000  104.40000
   69    80    81    63.00000  120.00000
   69    80    83    70.00000  120.00000
   80    69    70    35.00000  120.00000
   80    81    82    35.00000  120.00000
   80    81    85    63.00000  120.00000
   80    83    84    35.00000  113.00000
   81    85    86    35.00000  120.00000
   81    85    87    85.00000  120.00000
   85    81    82    35.00000  120.00000
   85    87    62    70.00000  132.80000
   87    65    69    85.00000  116.20000
   87    85    86    35.00000  120.00000
   87    62    66    65.00000  128.16600
   62    57    61    70.00000  124.00000
   62    66    67    50.00000  108.61900
   62    66    47    75.00000  111.19500
   62    66    71    75.00000  111.19500
   66    47    48    37.50000  110.70000
   66    47    51    75.00000  109.43000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    37.50000  110.70000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    58    90.00000  108.56700
   47    51    59    90.00000  110.19100
   51    47    48    45.00000  108.72000
   51    59    60    70.00000  107.92000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    51    52    35.00000  109.50000
   59    51    52    60.00000  108.02500
   59    51    58   110.00000  112.08000
   71    66    67    37.50000  110.70000
   71    66    47    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   83    80    81    70.00000  120.00000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   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    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51   0.06250  1.0 1.0
   38    33    58    51  -0.01100 -1.0 2.0
   38    33    58    51   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50  -0.03700  1.0 1.0
   38    40    44    50   0.37200 -1.0 2.0
   38    40    44    50  -0.47300  1.0 3.0
   38    40    47    66   0.56750  1.0 1.0
   38    40    47    66  -0.07550 -1.0 2.0
   38    40    47    66   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    51   3.97050  1.0 1.0
   38    42    49    53   1.63150  1.0 1.0
   38    42    49    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    57   0.04150 -1.0 2.0
   40    44    50    75   0.29300  1.0 1.0
   40    44    50    75  -1.19700 -1.0 2.0
   40    44    50    75   0.60900  1.0 3.0
   40    47    51    52   0.15000  1.0 3.0
   40    47    51    58   0.62750  1.0 1.0
   40    47    51    58  -0.30950 -1.0 2.0
   40    47    51    58   0.27300  1.0 3.0
   40    47    51    59   0.86500  1.0 1.0
   40    47    51    59  -0.17500 -1.0 2.0
   40    47    51    59   0.20800  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.43200  1.0 3.0
   41    40    47    66   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    51   0.15000  1.0 3.0
   44    40    47    66   0.56750  1.0 1.0
   44    40    47    66  -0.07550 -1.0 2.0
   44    40    47    66   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    51   3.97050  1.0 1.0
   44    50    57    61   3.62500 -1.0 2.0
   44    50    57    62   3.62500 -1.0 2.0
   44    50    75    68   3.62500 -1.0 2.0
   44    50    75    76   3.62500 -1.0 2.0
   45    44    50    57   0.00000  1.0 1.0
   45    44    50    75   0.00000  1.0 1.0
   46    44    50    57   0.00000  1.0 1.0
   46    44    50    75   0.00000  1.0 1.0
   50    57    61    63   3.62500 -1.0 2.0
   50    57    61    65   3.62500 -1.0 2.0
   50    57    62    87   3.62500 -1.0 2.0
   50    57    62    66   3.62500 -1.0 2.0
   57    50    75    68   3.62500 -1.0 2.0
   57    50    75    76   3.62500 -1.0 2.0
   57    61    63    64   3.62500 -1.0 2.0
   57    61   -63    68   3.62500 -1.0 2.0
   57    61    65    69   3.62500 -1.0 2.0
   57    61   -65    87   3.50000 -1.0 2.0
   57    62    66    67   0.00000  1.0 1.0
   57    62    66    47   1.10250  1.0 1.0
   57    62    66    47   0.01650 -1.0 2.0
   57    62    66    47   0.39100  1.0 3.0
   57    62    66    71   1.10250  1.0 1.0
   57    62    66    71   0.01650 -1.0 2.0
   57    62    66    71   0.39100  1.0 3.0
   61    57   -62    87   3.62500 -1.0 2.0
   61    57    62    66   3.62500 -1.0 2.0
   61    63    68    75   3.62500 -1.0 2.0
   61    63    68    77   3.62500 -1.0 2.0
   61    65    69    70   3.62500 -1.0 2.0
   61    65    69    80   3.62500 -1.0 2.0
   61    65    87    85   3.00000 -1.0 2.0
   61    65   -87    62   3.00000 -1.0 2.0
   63    61    65    69   3.62500 -1.0 2.0
   63    61    65    87   3.50000 -1.0 2.0
   63    68   -75    50   3.62500 -1.0 2.0
   63    68    75    76   3.62500 -1.0 2.0
   63    68    77    78   1.05000 -1.0 2.0
   63    68    77    79   1.05000 -1.0 2.0
   64    63    68    75   3.62500 -1.0 2.0
   64    63    68    77   3.62500 -1.0 2.0
   75    50   -57    61   3.62500 -1.0 2.0
   75    50    57    62   3.62500 -1.0 2.0
   75    68    77    78   1.05000 -1.0 2.0
   75    68    77    79   1.05000 -1.0 2.0
   77    68    75    50   3.62500 -1.0 2.0
   77    68    75    76   3.62500 -1.0 2.0
   65    61    63    64   3.62500 -1.0 2.0
   65    61    63    68   3.62500 -1.0 2.0
   65    69    80    81   3.62500 -1.0 2.0
   65    69    80    83   3.62500 -1.0 2.0
   65    87   -62    57   3.62500 -1.0 2.0
   65    87    62    66   3.62500 -1.0 2.0
   69    65    87    85   3.00000 -1.0 2.0
   69    65    87    62   3.00000 -1.0 2.0
   69    80    81    82   3.62500 -1.0 2.0
   69    80   -81    85   3.62500 -1.0 2.0
   69    80    83    84   0.84100 -1.0 2.0
   70    69    80    81   3.62500 -1.0 2.0
   70    69    80    83   3.62500 -1.0 2.0
   80    81    85    86   3.62500 -1.0 2.0
   80    81    85    87   3.62500 -1.0 2.0
   81    80    83    84   0.84100 -1.0 2.0
   81    85   -87    65   3.62500 -1.0 2.0
   81    85    87    62   3.62500 -1.0 2.0
   82    81    85    86   3.62500 -1.0 2.0
   82    81    85    87   3.62500 -1.0 2.0
   85    87    62    57   3.62500 -1.0 2.0
   85    87    62    66   3.62500 -1.0 2.0
   86    85    87    65   3.62500 -1.0 2.0
   86    85    87    62   3.62500 -1.0 2.0
   87    65    69    70   3.50000 -1.0 2.0
   87    65   -69    80   3.50000 -1.0 2.0
   87    62    66    67   0.00000  1.0 1.0
   87    62    66    47   1.10250  1.0 1.0
   87    62    66    47   0.01650 -1.0 2.0
   87    62    66    47   0.39100  1.0 3.0
   87    62    66    71   1.10250  1.0 1.0
   87    62    66    71   0.01650 -1.0 2.0
   87    62    66    71   0.39100  1.0 3.0
   62    57    61    63   3.62500 -1.0 2.0
   62    57   -61    65   3.62500 -1.0 2.0
   62    66    47    40  -0.64600  1.0 1.0
   62    66    47    40   0.58400 -1.0 2.0
   62    66    47    48   0.15000  1.0 3.0
   62    66    47    51  -0.64600  1.0 1.0
   62    66    47    51   0.58400 -1.0 2.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   66    47    51    52   0.15000  1.0 3.0
   66    47    51    58   0.62750  1.0 1.0
   66    47    51    58  -0.30950 -1.0 2.0
   66    47    51    58   0.27300  1.0 3.0
   66    47    51    59   0.86500  1.0 1.0
   66    47    51    59  -0.17500 -1.0 2.0
   66    47    51    59   0.20800  1.0 3.0
   67    66    47    40   0.15000  1.0 3.0
   67    66    47    48   0.15000  1.0 3.0
   67    66    47    51   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40    44    50  -0.03700  1.0 1.0
   47    40    44    50   0.37200 -1.0 2.0
   47    40    44    50  -0.47300  1.0 3.0
   47    66    71    72   0.15000  1.0 3.0
   47    66    71    73   0.15000  1.0 3.0
   47    66    71    74   0.15000  1.0 3.0
   47    51   -58    33   0.06250  1.0 1.0
   47    51   -58    33  -0.01100 -1.0 2.0
   47    51   -58    33   0.28050  1.0 3.0
   47    51    59    60  -0.11600  1.0 1.0
   47    51    59    60  -0.09450 -1.0 2.0
   47    51    59    60   0.21250  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    58   0.23400  1.0 3.0
   48    47    51    59   0.23400  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.19450  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42  -0.09450  1.0 1.0
   58    33    38    42  -1.12950 -1.0 2.0
   58    33    38    42   0.54000  1.0 3.0
   58    51    59    60  -0.50000  1.0 1.0
   58    51    59    60  -0.73950 -1.0 2.0
   58    51    59    60   0.17150  1.0 3.0
   59    51    58    33  -0.81800  1.0 1.0
   71    66    47    40   0.56750  1.0 1.0
   71    66    47    40  -0.07550 -1.0 2.0
   71    66    47    40   0.20000  1.0 3.0
   71    66    47    48   0.15000  1.0 3.0
   71    66    47    51   3.97050  1.0 1.0
   83    80    81    82   3.62500 -1.0 2.0
   83    80    81    85   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   57    75    50    44   4.00000 -1.0 2.0
   61    62    57    50   4.00000 -1.0 2.0
   63    65    61    57   4.00000 -1.0 2.0
   68    64    63    61   1.10000 -1.0 2.0
   77    75    68    63   4.00000 -1.0 2.0
   76    50    75    68   1.00000 -1.0 2.0
   78    68    77    79  10.50000 -1.0 2.0
   69    87    65    61   4.00000 -1.0 2.0
   80    70    69    65   1.10000 -1.0 2.0
   81    83    80    69   4.00000 -1.0 2.0
   85    82    81    80   1.10000 -1.0 2.0
   87    86    85    81   1.10000 -1.0 2.0
   85    62    87    65   4.00000 -1.0 2.0
   87    66    62    57   4.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
