REMARK  Name = BDB003924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.148  -2.513  -1.435  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.214  -1.543  -0.942  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -2.552  -0.310  -0.372  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.369   0.320   0.030  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.391   1.549   0.657  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -2.640   2.149   0.860  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.823   1.509   0.442  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1       -5.488   2.358   0.739  0.00  0.00    -0.050 Br
ATOM      9  N   LIG    1       -0.297  -0.525  -0.309  0.00  0.00    -0.280 N 
ATOM     10  C   LIG    1       -3.794   0.261  -0.182  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -0.817  -1.707  -0.888  0.00  0.00    +0.331 A 
ATOM     12  O   LIG    1       -0.173  -2.670  -1.273  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.114  -0.335  -0.025  0.00  0.00    +0.178 C 
ATOM     14  C   LIG    1        1.382  -0.320   1.492  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1        0.560  -0.686   2.333  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1        2.623   0.097   1.939  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        2.672   0.169   2.948  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        3.848   0.276   1.337  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1        4.806   0.649   2.013  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.995  -0.046  -0.128  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1        3.157   0.824  -1.051  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1        1.669   0.920  -0.708  0.00  0.00    +0.035 C 
ENDBRANCH   9  13
TORSDOF 1