REMARK  Name = BDB046569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.962   1.345   0.970  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        2.000   0.515   1.337  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        2.018  -0.435   0.989  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.977   2.560   1.133  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.431  -0.445  -0.960  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1       -1.659  -1.207  -0.076  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -0.552  -0.641   0.563  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.205   0.693   0.314  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.987   1.458  -0.561  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.093   0.890  -1.199  0.00  0.00    +0.008 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.820  -1.143  -1.065  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1       -3.597  -1.033  -1.621  0.00  0.00    +0.018 C 
BRANCH  11  14
ATOM     13  C   LIG    1       -5.293  -1.788   1.323  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -5.204  -0.654   0.309  0.00  0.00    +0.039 C 
ENDBRANCH  11  14
BRANCH  11  15
ATOM     15  C   LIG    1       -5.856  -1.766  -1.926  0.00  0.00    +0.333 C 
ATOM     16  O   LIG    1       -5.687  -2.253  -3.030  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -7.075  -1.753  -1.363  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -7.642  -2.186  -2.034  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1        3.238   1.048   1.855  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.242   1.265   0.744  0.00  0.00    -0.019 A 
ATOM     21  C   LIG    1        4.998   0.205   0.191  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        5.907   0.483  -0.848  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        6.054   1.778  -1.344  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.292   2.814  -0.816  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.391   2.560   0.217  0.00  0.00    +0.006 A 
BRANCH  21  26
ATOM     26  C   LIG    1        4.851  -1.214   0.689  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1        5.563  -2.128  -0.029  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        5.256  -1.361   1.981  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        3.557  -1.651   0.654  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 8