REMARK  Name = BDB003358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.400  -1.725  -2.762  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1        0.284  -0.877  -1.741  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.218   0.176  -1.070  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.866   0.586  -0.130  0.00  0.00    +0.276 A 
ATOM      5  O   LIG    1        0.758   1.532   0.632  0.00  0.00    -0.266 OA
ATOM      6  N   LIG    1        1.925  -0.295  -0.339  0.00  0.00    -0.219 N 
ATOM      7  N   LIG    1        1.588  -1.178  -1.371  0.00  0.00    -0.294 N 
ATOM      8  H   LIG    1        1.688  -2.159  -1.103  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        3.208  -0.321   0.248  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1        3.535   0.520   1.319  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.806   0.483   1.903  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        5.772  -0.396   1.422  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.468  -1.237   0.355  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        4.197  -1.199  -0.227  0.00  0.00    +0.028 A 
ENDBRANCH   6   9
BRANCH   3  15
ATOM     15  C   LIG    1       -1.554   0.859  -1.158  0.00  0.00    +0.082 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.554   0.244  -0.181  0.00  0.00    -0.038 A 
ATOM     17  C   LIG    1       -3.652  -0.482  -0.675  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -4.579  -1.058   0.198  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -4.415  -0.916   1.573  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -5.666  -1.698   2.754  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -3.335  -0.201   2.083  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -2.409   0.376   1.210  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
BRANCH  15  23
ATOM     23  C   LIG    1       -1.455   2.388  -1.032  0.00  0.00    +0.224 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.702   2.992  -1.606  0.00  0.00    +0.023 N 
ATOM     25  O   LIG    1       -2.822   2.964  -2.838  0.00  0.00    -0.132 OA
ATOM     26  O   LIG    1       -3.517   3.480  -0.814  0.00  0.00    -0.132 OA
ENDBRANCH  23  24
ENDBRANCH  15  23
ENDBRANCH   3  15
TORSDOF 5