* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    164    242     475
    1     0 S   NP   _N1_     1    28.19599    96.52642   -21.31043
    2     1 S   H    _HN1     2     1.02833    32.59685   112.61064
    3     1 S   H    _H1_     3     1.02778   100.77959  -140.98140
    4     1 S   H    _H2_     4     1.02954    79.81742   -34.08364
    5     1 S   CT   _CA1     5     1.50118   139.00225    75.39436
    6     5 S   HC   _HA1     6     1.09589   105.21704    79.66038
    7     5 S   CO3  _C1_     7     1.53818   112.23642   -40.40899
    8     7 S   O2Z  _O11     8     1.26364   114.99481   -47.65740
    9     7 S   O2Z  _O12     9     1.26233   114.95348   131.26190
   10     5 S   CT   _CB1    10     1.53123   107.37907  -162.58730
   11    10 S   HC   HB11    11     1.09819   109.36467   -51.35307
   12    10 S   HC   HB12    12     1.09805   110.53130    65.29838
   13    10 S   CT   _CG1    13     1.52885   112.41963  -172.38929
   14    13 S   HC   HG11    14     1.09591   110.32811   -64.78459
   15    13 S   HC   HG12    15     1.09632   109.84889    54.30057
   16    13 S   C    _CD1    16     1.51832   112.61467   174.68131
   17    16 S   O    _OE1    17     1.22732   123.44949     1.21949
   18    16 S   N    _N2_    18     1.38456   111.51578  -178.73622
   19    18 S   H    _HN2    19     1.01798   118.81495     2.30223
   20    18 S   CT1  _CA2    20     1.45734   123.30543   178.61478
   21    20 S   HC   _HA2    21     1.09679   108.93195    27.93761
   22    20 S   C    _C2_    22     1.53073   106.97672   -89.72765
   23    22 S   O    _O2_    23     1.22980   122.94499   -23.98105
   24    20 S   CT   _CB2    32     1.53212   112.18169   151.31478
   25    24 S   HC   HB21    33     1.09458   109.38576    61.42378
   26    24 S   HC   HB22    34     1.09533   110.46362   179.67857
   27    22 S   N    _N3_    24     1.38614   112.57730   159.23050
   28    27 S   H    _HN3    25     1.01508   119.78259    -0.26170
   29    24 S   S    _SG2    35     1.82498   112.38799   -59.23060
   30    27 S   CT   _CA3    26     1.45501   122.64574   174.21406
   31    30 S   HC   HA31    27     1.09532   109.07346    31.89400
   32    30 S   HC   HA32    28     1.09483   107.32360   149.00869
   33    29 S   CT   _C23    36     1.82136    98.80987   172.72144
   34    33 S   HC   _H29    37     1.09385   110.90816   -15.39456
   35    33 S   HC   _H30    38     1.09449   107.19575   100.33265
   36    30 S   CO3  _C3_    29     1.52975   112.68903   -91.22268
   37    36 S   O2Z  _O31    30     1.26412   115.26334   -49.66634
   38    36 S   O2Z  _O32    31     1.26381   115.24702   130.61755
   39    33 S   CM   _C22    39     1.49944   111.21100  -137.02420
   40    39 S   CMA  _C21    40     1.35263   127.25970  -115.54837
   41    40 S   OM   _O38    41     1.26277   128.26034     1.42203
   42    40 S   OS   _O37    42     1.42993   109.35673  -179.16725
   43    42 S   CT   _C11    43     1.44332   105.11245    19.46676
   44    43 S   HC   _H5_    44     1.09692   107.95381  -149.99363
   45    43 S   CT   _C12    45     1.53753   108.39587    91.63062
   46    45 S   HC   _H14    46     1.09856   107.15399    98.84435
   47    45 S   HC   _H15    47     1.09840   109.89513   -14.83529
   48    45 S   CM   _C13    48     1.51464   117.52022  -138.84588
   49    48 S   CM   _C14    49     1.35476   122.77109     0.89131
   50    48 S   CT   _C20    85     1.51131   112.56231  -177.19879
   51    50 S   HC   _H26    86     1.09200   113.81709   159.88215
   52    50 S   HC   _H27    87     1.09606   110.09995    40.76498
   53    49 S   CT   _C9_    50     1.51886   120.41640    -1.04755
   54    53 S   HC   _H3_    51     1.08996   109.39410   143.76161
   55    49 S   CT   _C15    68     1.54196   123.04720   179.60435
   56    55 S   HC   _H6_    69     1.09512   108.67706   -19.22779
   57    50 S   OH   _O36    88     1.42018   109.10492   -78.23539
   58    57 S   HO   _H28    89     0.97200   107.07561   177.50456
   59    39 S   CT   _C10    52     1.50188   122.72044    63.41844
   60    59 S   HC   _H4_    53     1.10017   106.49472   -87.17810
   61    53 S   OS   _O34    54     1.45066   106.51442   -98.43929
   62    55 S   CT   _C16    70     1.53236   110.55544    98.16216
   63    62 S   HC   _H16    71     1.09455   111.75902    73.43500
   64    62 S   HC   _H17    72     1.09563   111.26253   -47.49142
   65    62 S   HC   _H18    73     1.09472   110.90008  -166.59929
   66    55 S   CT   _C17    74     1.54595   113.29985  -135.61331
   67    66 S   HC   _H19    75     1.09704   110.05189   -72.66771
   68    66 S   HC   _H20    76     1.09720   108.97634    44.85238
   69    61 S   CO4  _C8_    55     1.35873   117.49977  -140.55161
   70    69 S   O    _O33    56     1.22078   126.95026     0.77481
   71    66 S   CT   _C18    77     1.53009   114.15563   165.94092
   72    71 S   HC   _H21    78     1.09667   110.48385   -56.20334
   73    71 S   HC   _H22    79     1.09579   110.97092    61.31318
   74    69 S   CM   _C6_    57     1.48292   108.70811  -178.88583
   75    71 S   CT   _C19    80     1.52421   110.55953  -177.54313
   76    75 S   HC   _H23    81     1.09471   110.76828    60.68984
   77    75 S   HC   _H24    82     1.09458   110.70198   -60.23341
   78    74 S   CM   _C5_    58     1.34457   120.44528  -134.11138
   79    78 S   HC   _H10    59     1.08923   117.75039  -177.44610
   80    74 S   CT   _C7_    64     1.49946   116.85277    48.39227
   81    80 S   HC   _H11    65     1.09481   110.67627   -70.76187
   82    80 S   HC   _H12    66     1.09519   110.41678    49.42680
   83    80 S   HC   _H13    67     1.09519   111.94806   169.07185
   84    75 S   OH   _O35    83     1.42021   109.47077  -179.71264
   85    84 S   HO   _H25    84     0.97631   106.28242   178.85619
   86    78 S   CT   _C4_    60     1.49565   128.29875     3.77678
   87    86 S   HC   _H7_    61     1.09405   109.88378  -111.48298
   88    86 S   HC   _H8_    62     1.09495   109.34801   130.08104
   89    86 S   HC   _H9_    63     1.09241   113.63667    10.52102
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  12   7  12   5   4  14
  20   6   3   2  11   5  14   8   1   1   3   1   5   7   3   2
   1   9   5   4   9   3   7   5   4  10   4   3   2   9   5   4
   2   1   1   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    59  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    53    59    60  
   35    39    40    59  
   39    40    59  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    53    54    59    60    61  
   41    42    43    44    45    53    59    60  
   42    43    59  
   43    44    45    46    47    48    53    59    60  
   44    45    46    47    48    49    53    54    59    60    61    50  
   45    46    47    48    53    59    60  
   46    47    48    49    53    59    60    55    50    51    52    57  
   47    48    49    59    50  
   48    49    59    50  
   49    53    54    59    61    55    56    62    66    50    51    52    57    58  
   53    54    59    60    61    69    55    56    62    63    64    65    66    67    68    71    50    51    52    57  
   51    52    57    58    53    55  
   52    57    58  
   57    58  
   54    59    60    61    69    70    74    55    56    62    66  
   59    60    61    69    55  
   56    62    63    64    65    66    67    68    71    72    73    75    59    61  
   62    63    64    65    66    67    68    71  
   58  
    0  
   60    61    69  
   61  
   69    70    74    78    80  
   63    64    65    66    67    68    71  
   64    65    66  
   65    66  
   66  
   67    68    71    72    73    75    76    77    84  
   68    71    72    73    75  
   71    72    73    75  
   70    74    78    79    86    80    81    82    83  
   74    78    80  
   72    73    75    76    77    84    85  
   73    75    76    77    84  
   75    76    77    84  
   78    79    86    87    88    89    80    81    82    83  
   76    77    84    85  
   77    84    85  
   84    85  
   79    86    87    88    89    80    81    82    83  
   86    87    88    89    80  
   81    82    83    86  
   82    83  
   83  
    0  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    59   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    59   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.510
   48    49   549.000  1.340
   48    50   317.000  1.510
   49    53   317.000  1.510
   49    55   317.000  1.510
   53    54   340.000  1.090
   53    59   268.000  1.529
   53    61   320.000  1.410
   59    60   340.000  1.090
   61    69   214.000  1.327
   69    70   570.000  1.229
   69    74   320.000  1.462
   74    78   549.000  1.340
   74    80   317.000  1.510
   78    79   340.000  1.080
   78    86   317.000  1.510
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   55    56   340.000  1.090
   55    62   268.000  1.529
   55    66   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    84   320.000  1.410
   84    85   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   320.000  1.410
   57    58   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    59    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    59    43    70.00000  112.02700
   39    59    53    70.00000  112.02700
   39    59    60    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    59    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    48    70.00000  112.02700
   43    59    53    58.35000  112.70000
   43    59    60    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    48    49    70.00000  124.00000
   45    48    50    65.00000  117.92700
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    49    53    70.00000  124.00000
   48    49    55    70.00000  124.00000
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   48    50    57    90.00000  110.39200
   49    53    54    35.00000  109.50000
   49    53    59    70.00000  112.02700
   49    53    61    85.00000  110.90400
   49    55    56    35.00000  109.50000
   49    55    62    70.00000  112.02700
   49    55    66    70.00000  112.02700
   53    59    60    37.50000  110.70000
   53    61    69    83.00000  116.90000
   59    39    40    70.00000  124.00000
   59    43    44    37.50000  110.70000
   59    43    45    58.35000  112.70000
   59    53    54    37.50000  110.70000
   61    53    54    35.00000  109.50000
   61    53    59    50.00000  109.50000
   61    69    70    83.00000  123.40000
   61    69    74    90.00000  111.29400
   69    74    78    65.00000  118.96000
   69    74    80    65.00000  116.34900
   74    69    70    80.00000  123.72100
   74    78    79    35.00000  120.00000
   74    78    86    70.00000  124.00000
   74    80    81    35.00000  109.50000
   74    80    82    35.00000  109.50000
   74    80    83    35.00000  109.50000
   78    86    87    35.00000  109.50000
   78    86    88    35.00000  109.50000
   78    86    89    35.00000  109.50000
   86    78    79    35.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   80    74    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   55    49    53    65.00000  117.92700
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    71    58.35000  112.70000
   62    55    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    62    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    66    67    37.50000  110.70000
   71    66    68    37.50000  110.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    84    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    84    85    55.00000  108.50000
   77    75    76    33.00000  107.80000
   84    75    76    35.00000  109.50000
   84    75    77    35.00000  109.50000
   50    48    49    70.00000  124.00000
   50    57    58    55.00000  108.50000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    59   0.30250  1.0 1.0
   29    33    39    59  -0.14950 -1.0 2.0
   29    33    39    59   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    59    43   0.46850  1.0 1.0
   33    39    59    43   0.08550 -1.0 2.0
   33    39    59    43   0.09800  1.0 3.0
   33    39    59    53   0.46850  1.0 1.0
   33    39    59    53   0.08550 -1.0 2.0
   33    39    59    53   0.09800  1.0 3.0
   33    39    59    60   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    59   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    59   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -59    43   0.09850  1.0 1.0
   40    39   -59    43   0.15250 -1.0 2.0
   40    39   -59    43  -0.50650  1.0 3.0
   40    39    59    53   0.09850  1.0 1.0
   40    39    59    53   0.15250 -1.0 2.0
   40    39    59    53  -0.50650  1.0 3.0
   40    39    59    60   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    59  -0.46850  1.0 1.0
   40    42   -43    59   0.09300 -1.0 2.0
   40    42   -43    59  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    48   0.61850  1.0 1.0
   42    43    45    48  -0.22750 -1.0 2.0
   42    43    45    48   0.15300  1.0 3.0
   42    43   -59    39   0.61850  1.0 1.0
   42    43   -59    39  -0.22750 -1.0 2.0
   42    43   -59    39   0.15300  1.0 3.0
   42    43    59    53   0.62750  1.0 1.0
   42    43    59    53  -0.30950 -1.0 2.0
   42    43    59    53   0.27300  1.0 3.0
   42    43    59    60   0.23400  1.0 3.0
   43    45    48    49   0.09850  1.0 1.0
   43    45    48    49   0.15250 -1.0 2.0
   43    45    48    49  -0.50650  1.0 3.0
   43    45    48    50   0.46850  1.0 1.0
   43    45    48    50   0.08550 -1.0 2.0
   43    45    48    50   0.09800  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    48   0.15000  1.0 3.0
   44    43    59    39   0.15000  1.0 3.0
   44    43    59    53   0.15000  1.0 3.0
   44    43    59    60   0.15000  1.0 3.0
   45    43    59    39   0.34400  1.0 1.0
   45    43    59    39   0.09450 -1.0 2.0
   45    43    59    39   0.11100  1.0 3.0
   45    43    59    53   0.56750  1.0 1.0
   45    43    59    53  -0.07550 -1.0 2.0
   45    43    59    53   0.20000  1.0 3.0
   45    43    59    60   0.15000  1.0 3.0
   45    48   -49    53   7.00000 -1.0 2.0
   45    48    49    55   7.00000 -1.0 2.0
   45    48    50    51   0.34800  1.0 3.0
   45    48    50    52   0.34800  1.0 3.0
   45    48    50    57   0.18000  1.0 1.0
   45    48    50    57   0.16450 -1.0 2.0
   45    48    50    57   0.04450  1.0 3.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.34800  1.0 3.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.34800  1.0 3.0
   48    49    53    54   0.00000  1.0 1.0
   48    49    53    59   0.09850  1.0 1.0
   48    49    53    59   0.15250 -1.0 2.0
   48    49    53    59  -0.50650  1.0 3.0
   48    49    53    61   0.39000  1.0 1.0
   48    49    53    61  -0.05800 -1.0 2.0
   48    49    53    61  -0.55150  1.0 3.0
   48    49    55    56   0.00000  1.0 1.0
   48    49    55    62   0.09850  1.0 1.0
   48    49    55    62   0.15250 -1.0 2.0
   48    49    55    62  -0.50650  1.0 3.0
   48    49    55    66   0.09850  1.0 1.0
   48    49    55    66   0.15250 -1.0 2.0
   48    49    55    66  -0.50650  1.0 3.0
   48    50    57    58  -0.07800  1.0 1.0
   48    50    57    58  -0.21500 -1.0 2.0
   48    50    57    58  -0.03150  1.0 3.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    48    50    57   0.67800  1.0 1.0
   49    48    50    57   0.47050 -1.0 2.0
   49    48    50    57  -0.62500  1.0 3.0
   49    53    59    39   0.31000  1.0 1.0
   49    53    59    39   0.14700 -1.0 2.0
   49    53    59    39   0.07550  1.0 3.0
   49    53   -59    43   0.34400  1.0 1.0
   49    53   -59    43   0.09450 -1.0 2.0
   49    53   -59    43   0.11100  1.0 3.0
   49    53    59    60   0.15000  1.0 3.0
   49    53    61    69  -0.82050  1.0 1.0
   49    53    61    69   0.00600 -1.0 2.0
   49    53    61    69   0.04400  1.0 3.0
   49    55    62    63   0.15000  1.0 3.0
   49    55    62    64   0.15000  1.0 3.0
   49    55    62    65   0.15000  1.0 3.0
   49    55    66    67   0.15000  1.0 3.0
   49    55    66    68   0.15000  1.0 3.0
   49    55    66    71   0.34400  1.0 1.0
   49    55    66    71   0.09450 -1.0 2.0
   49    55    66    71   0.11100  1.0 3.0
   53    49    55    56   0.34800  1.0 3.0
   53    49    55    62   0.46850  1.0 1.0
   53    49    55    62   0.08550 -1.0 2.0
   53    49    55    62   0.09800  1.0 3.0
   53    49    55    66   0.46850  1.0 1.0
   53    49    55    66   0.08550 -1.0 2.0
   53    49    55    66   0.09800  1.0 3.0
   53    61    69    70   3.00000 -1.0 2.0
   53    61    69    74   2.00000 -1.0 2.0
   54    53    59    39   0.15000  1.0 3.0
   54    53    59    43   0.15000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    61    69   0.08050  1.0 3.0
   59    39    40    41   7.00000 -1.0 2.0
   59    39   -40    42   7.00000 -1.0 2.0
   59    43    45    46   0.15000  1.0 3.0
   59    43    45    47   0.15000  1.0 3.0
   59    43   -45    48   0.34400  1.0 1.0
   59    43   -45    48   0.09450 -1.0 2.0
   59    43   -45    48   0.11100  1.0 3.0
   59    53    61    69  -0.25900  1.0 1.0
   59    53    61    69  -0.47000 -1.0 2.0
   59    53    61    69   0.11750  1.0 3.0
   61    53    59    39   0.61850  1.0 1.0
   61    53    59    39  -0.22750 -1.0 2.0
   61    53    59    39   0.15300  1.0 3.0
   61    53    59    43   0.62750  1.0 1.0
   61    53    59    43  -0.30950 -1.0 2.0
   61    53    59    43   0.27300  1.0 3.0
   61    53    59    60   0.23400  1.0 3.0
   61    69    74    78  -0.56150  1.0 1.0
   61    69    74    78   2.19150 -1.0 2.0
   61    69    74    80  -0.15000  1.0 1.0
   61    69    74    80   0.89550 -1.0 2.0
   61    69    74    80  -0.06900  1.0 3.0
   69    74    78    79   7.00000 -1.0 2.0
   69    74    78    86   7.00000 -1.0 2.0
   69    74    80    81   0.15000  1.0 3.0
   69    74    80    82   0.15000  1.0 3.0
   69    74    80    83   0.15000  1.0 3.0
   70    69    74    78   1.00000 -1.0 2.0
   70    69    74    80  -0.64400  1.0 1.0
   70    69    74    80   0.26850 -1.0 2.0
   74    78    86    87   0.00000  1.0 1.0
   74    78    86    88   0.00000  1.0 1.0
   74    78    86    89   0.00000  1.0 1.0
   78    74    80    81   0.00000  1.0 1.0
   78    74    80    82   0.00000  1.0 1.0
   78    74    80    83   0.00000  1.0 1.0
   79    78    86    87   0.33100  1.0 3.0
   79    78    86    88   0.33100  1.0 3.0
   79    78    86    89   0.33100  1.0 3.0
   80    74    78    79   7.00000 -1.0 2.0
   80    74    78    86   7.00000 -1.0 2.0
   55    49    53    54   0.34800  1.0 3.0
   55    49    53    59   0.46850  1.0 1.0
   55    49    53    59   0.08550 -1.0 2.0
   55    49    53    59   0.09800  1.0 3.0
   55    49    53    61   0.09700  1.0 1.0
   55    49    53    61   0.15600 -1.0 2.0
   55    49    53    61  -0.50800  1.0 3.0
   55    66    71    72   0.15000  1.0 3.0
   55    66    71    73   0.15000  1.0 3.0
   55    66    71    75   0.56750  1.0 1.0
   55    66    71    75  -0.07550 -1.0 2.0
   55    66    71    75   0.20000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    71   0.15000  1.0 3.0
   62    55    66    67   0.15000  1.0 3.0
   62    55    66    68   0.15000  1.0 3.0
   62    55    66    71   0.56750  1.0 1.0
   62    55    66    71  -0.07550 -1.0 2.0
   62    55    66    71   0.20000  1.0 3.0
   66    55    62    63   0.15000  1.0 3.0
   66    55    62    64   0.15000  1.0 3.0
   66    55    62    65   0.15000  1.0 3.0
   66    71    75    76   0.15000  1.0 3.0
   66    71    75    77   0.15000  1.0 3.0
   66    71    75    84   0.86500  1.0 1.0
   66    71    75    84  -0.17500 -1.0 2.0
   66    71    75    84   0.20800  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    75   0.15000  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   68    66    71    73   0.15000  1.0 3.0
   68    66    71    75   0.15000  1.0 3.0
   71    75    84    85  -0.11600  1.0 1.0
   71    75    84    85  -0.09450 -1.0 2.0
   71    75    84    85   0.21250  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    84   0.23400  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    84   0.23400  1.0 3.0
   76    75    84    85   0.19450  1.0 3.0
   77    75    84    85   0.19450  1.0 3.0
   50    48    49    53   7.00000 -1.0 2.0
   50    48    49    55   7.00000 -1.0 2.0
   51    50    57    58   0.19450  1.0 3.0
   52    50    57    58   0.19450  1.0 3.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    59    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    50    48    49   1.10000 -1.0 2.0
   53    55    49    48   1.10000 -1.0 2.0
   61    74    69    70  10.50000 -1.0 2.0
   69    80    74    78  15.00000 -1.0 2.0
   86    79    78    74  15.00000 -1.0 2.0
END
