REMARK  Name = BDB032969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.200  -0.237  -0.479  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.836   0.260   0.278  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.662   0.933   1.009  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -0.154  -1.105  -1.339  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.553  -1.918   0.211  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.629  -0.416   0.176  0.00  0.00    -0.037 A 
ATOM      7  C   LIG    1       -1.516   0.380  -0.157  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -1.631   1.780  -0.207  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -2.850   2.393   0.081  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.954   1.610   0.410  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -5.609   2.440   0.794  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -3.851   0.218   0.453  0.00  0.00    +0.019 A 
ENDBRANCH   1   7
BRANCH   2  13
ATOM     13  C   LIG    1        2.122  -0.177   0.131  0.00  0.00    +0.167 A 
ATOM     14  S   LIG    1        3.227   0.546   1.219  0.00  0.00    -0.028 S 
ATOM     15  C   LIG    1        4.470  -0.380   0.516  0.00  0.00    +0.185 A 
ATOM     16  C   LIG    1        3.979  -1.173  -0.494  0.00  0.00    +0.153 A 
ATOM     17  N   LIG    1        2.619  -1.047  -0.711  0.00  0.00    -0.231 NA
BRANCH  15  18
ATOM     18  N   LIG    1        5.821  -0.294   0.965  0.00  0.00    +0.065 N 
ATOM     19  O   LIG    1        6.641  -1.015   0.383  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        6.079   0.485   1.892  0.00  0.00    -0.126 OA
ENDBRANCH  15  18
ENDBRANCH   2  13
TORSDOF 3