REMARK  Name = BDB002993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.179  -0.659   0.385  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1        0.123   0.123   1.052  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.180  -0.929   0.028  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.204  -0.133   0.576  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -3.541  -0.423   0.226  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -4.556   0.376   0.768  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -4.231   1.421   1.625  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.897   1.635   1.910  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -3.831  -1.487  -0.645  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -2.806  -2.271  -1.169  0.00  0.00    +0.003 A 
ATOM     11  N   LIG    1       -1.889   0.890   1.406  0.00  0.00    -0.253 NA
ATOM     12  C   LIG    1       -1.485  -1.995  -0.831  0.00  0.00    +0.025 A 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  C   LIG    1        0.996  -0.249  -0.764  0.00  0.00    +0.140 C 
BRANCH  13  15
ATOM     14  C   LIG    1        3.161   1.058  -0.982  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1        2.409   0.075  -0.324  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.031  -0.655   0.707  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.344  -0.375   1.087  0.00  0.00    +0.019 A 
ATOM     18 BR   LIG    1        5.145  -1.364   2.486  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        5.073   0.622   0.445  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        4.479   1.334  -0.594  0.00  0.00    +0.061 A 
ATOM     21 BR   LIG    1        5.487   2.675  -1.478  0.00  0.00    -0.046 Br
BRANCH  14  22
ATOM     22  O   LIG    1        2.579   1.736  -2.021  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1        3.225   2.389  -2.346  0.00  0.00    +0.292 HD
ENDBRANCH  14  22
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4