REMARK  Name = BDB003386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.672   0.076   0.772  0.00  0.00    +0.104 A 
ATOM      2  N   LIG    1        1.685   0.412   1.638  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.434   0.811   2.532  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.030   0.207   1.444  0.00  0.00    +0.258 A 
ATOM      5  O   LIG    1        3.864   0.525   2.284  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        3.420  -0.422   0.162  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        2.410  -0.762  -0.745  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1        2.758  -1.356  -1.964  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.102  -1.602  -2.256  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        5.106  -1.262  -1.348  0.00  0.00    +0.016 A 
ATOM     11 BR   LIG    1        4.566  -2.406  -3.904  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.765  -0.669  -0.132  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        1.012  -0.487  -0.404  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -0.611   0.388   1.166  0.00  0.00    -0.298 N 
ATOM     15  H   LIG    1       -0.680   1.308   1.597  0.00  0.00    +0.154 HD
BRANCH  14  17
ATOM     16  C   LIG    1       -2.900   0.958   0.556  0.00  0.00    +0.141 A 
ATOM     17  C   LIG    1       -1.853   0.009   0.602  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1       -2.086  -1.283   0.112  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -3.322  -1.625  -0.437  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.342  -0.680  -0.496  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.136   0.608   0.003  0.00  0.00    +0.047 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -3.608   3.184   1.040  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.591   2.191   1.083  0.00  0.00    -0.493 OA
ENDBRANCH  16  23
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 3