REMARK  Name = BDB030281
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.588  -0.056   0.081  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.672  -1.111   0.017  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.306  -0.833   0.005  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -0.611  -1.903  -0.068  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.277  -2.857  -0.103  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.986  -1.763  -0.085  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -2.488  -0.396  -0.026  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1       -1.611   0.673   0.047  0.00  0.00    +0.035 A 
ATOM      9  S   LIG    1       -2.426   2.168   0.104  0.00  0.00    -0.081 S 
ATOM     10  C   LIG    1       -3.937   1.403   0.036  0.00  0.00    +0.056 A 
ATOM     11 BR   LIG    1       -5.592   2.358   0.050  0.00  0.00    -0.043 Br
ATOM     12  C   LIG    1       -3.852   0.036  -0.031  0.00  0.00    +0.037 A 
ATOM     13  O   LIG    1       -2.724  -2.741  -0.150  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -0.159   0.500   0.068  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        0.768   1.545   0.153  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        2.140   1.269   0.166  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  18
ATOM     17  O   LIG    1        4.479  -1.351   0.693  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        4.031  -0.385   0.101  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        4.782   0.459  -0.636  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        4.280   1.081  -1.196  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 2