REMARK  Name = BDB020467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.697  -0.644  -0.186  0.00  0.00    +0.148 A 
ATOM      2  C   LIG    1        2.710  -0.389   0.761  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.380  -0.359   0.295  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        1.046  -0.538  -1.065  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.127  -0.739  -1.936  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        1.883  -0.905  -3.292  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.591  -0.886  -3.817  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.489  -0.689  -2.967  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.277  -0.507  -1.594  0.00  0.00    +0.011 A 
ATOM     10  N   LIG    1        3.400  -0.777  -1.512  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -1.432  -0.301  -0.740  0.00  0.00    +0.094 A 
ATOM     12  C   LIG    1       -2.354   0.717  -0.849  0.00  0.00    +0.064 A 
ATOM     13  C   LIG    1       -2.527   1.877  -1.739  0.00  0.00    +0.163 C 
ATOM     14  N   LIG    1       -3.108   2.977  -0.979  0.00  0.00    -0.297 N 
ATOM     15  C   LIG    1       -4.120   2.772  -0.043  0.00  0.00    +0.238 C 
ATOM     16  C   LIG    1       -4.394   1.335   0.410  0.00  0.00    +0.171 C 
ATOM     17  C   LIG    1       -5.642   0.812  -0.294  0.00  0.00    +0.041 C 
ATOM     18  O   LIG    1       -4.808   3.697   0.399  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -2.922   4.312  -1.521  0.00  0.00    +0.132 C 
ATOM     20  N   LIG    1       -3.247   0.484   0.162  0.00  0.00    -0.318 N 
ATOM     21  C   LIG    1       -2.831  -0.614   0.858  0.00  0.00    +0.114 A 
ATOM     22  N   LIG    1       -1.735  -1.113   0.327  0.00  0.00    -0.232 NA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.517  -1.212   2.118  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.665  -2.171   1.938  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1       -3.337  -2.677   2.421  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH   9  11
BRANCH   1  30
ATOM     26  C   LIG    1        8.251  -1.192   1.915  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        7.099  -0.997   1.006  0.00  0.00    +0.056 A 
ATOM     28  N   LIG    1        7.293  -0.845  -0.338  0.00  0.00    -0.241 NA
ATOM     29  C   LIG    1        6.086  -0.750  -0.848  0.00  0.00    +0.205 A 
ATOM     30  N   LIG    1        5.092  -0.776   0.112  0.00  0.00    -0.290 N 
ATOM     31  C   LIG    1        5.751  -0.978   1.302  0.00  0.00    +0.117 A 
ENDBRANCH   1  30
BRANCH   2  32
ATOM     32  C   LIG    1        2.939  -0.104   2.215  0.00  0.00    +0.375 C 
ATOM     33  F   LIG    1        3.161  -1.232   2.942  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        1.879   0.509   2.821  0.00  0.00    -0.204 F 
ENDBRANCH   2  32
TORSDOF 4