REMARK  Name = BDB003093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.185  -0.980   0.197  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -0.130  -0.553   1.112  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.842  -0.823  -0.711  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.762  -1.153  -1.888  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.081  -0.181  -0.216  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.882   0.541  -1.104  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1        4.047   1.138  -0.633  0.00  0.00    +0.037 A 
ATOM      8 BR   LIG    1        5.153   2.131  -1.792  0.00  0.00    -0.049 Br
ATOM      9  C   LIG    1        4.376   0.989   0.707  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1        3.628   0.283   1.590  0.00  0.00    -0.261 NA
ATOM     11  C   LIG    1        2.502  -0.296   1.103  0.00  0.00    +0.123 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1       -1.451  -1.575  -0.187  0.00  0.00    +0.105 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.349  -0.622  -0.980  0.00  0.00    +0.030 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.711   0.665  -0.237  0.00  0.00    +0.122 C 
BRANCH  14  16
ATOM     15  O   LIG    1       -4.107  -0.628   1.298  0.00  0.00    -0.251 OA
ATOM     16  C   LIG    1       -3.597   0.423   0.954  0.00  0.00    +0.305 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -3.803   1.550   1.662  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1       -4.408   1.277   2.384  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6