REMARK  Name = BDB003150
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.120   1.148   0.266  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -0.139   0.920   0.430  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1       -1.344   2.340  -0.402  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1       -2.435   2.773  -0.768  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1       -5.801  -0.516   0.697  0.00  0.00    +0.045 C 
ATOM      6  C   LIG    1       -4.324  -0.713   0.897  0.00  0.00    -0.035 A 
ATOM      7  C   LIG    1       -3.794  -1.874   1.477  0.00  0.00    +0.021 A 
ATOM      8 BR   LIG    1       -4.898  -3.304   2.063  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -2.415  -2.013   1.645  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -1.553  -0.995   1.234  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.057   0.171   0.650  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.439   0.304   0.488  0.00  0.00    +0.027 A 
ENDBRANCH   1  11
BRANCH   3  13
ATOM     13  C   LIG    1       -0.084   3.171  -0.605  0.00  0.00    +0.152 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.053   2.366  -1.147  0.00  0.00    +0.058 A 
ATOM     15  N   LIG    1        1.639   1.414  -0.319  0.00  0.00    -0.243 NA
ATOM     16  C   LIG    1        2.611   0.777  -0.949  0.00  0.00    +0.109 A 
ATOM     17  S   LIG    1        2.878   1.316  -2.565  0.00  0.00    -0.075 S 
ATOM     18  C   LIG    1        1.605   2.447  -2.408  0.00  0.00    +0.071 A 
BRANCH  16  19
ATOM     19  C   LIG    1        3.424  -0.290  -0.333  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        3.440  -0.407   1.068  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.184  -1.404   1.704  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        4.924  -2.308   0.948  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.919  -2.215  -0.442  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.174  -1.216  -1.077  0.00  0.00    +0.010 A 
ENDBRANCH  16  19
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4