REMARK  Name = BDB032868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.476  -0.293   1.004  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.682  -0.949   0.033  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.836  -2.330  -0.188  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -1.734  -3.070   0.578  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.487  -2.437   1.561  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.363  -1.060   1.770  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -1.659   3.387   1.853  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.996   1.933   2.068  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -1.360   1.111   1.162  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -0.770   1.569   0.461  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -2.767   1.591   2.958  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.325  -0.180  -0.765  0.00  0.00    +0.251 C 
ATOM     13  N   LIG    1        1.473  -0.874  -1.081  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        1.646  -1.798  -0.717  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.086   0.995  -1.022  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.489  -0.313  -1.804  0.00  0.00    +0.166 A 
ATOM     17  S   LIG    1        3.846  -1.338  -1.997  0.00  0.00    -0.045 S 
ATOM     18  C   LIG    1        4.602  -0.110  -2.895  0.00  0.00    +0.076 A 
ATOM     19 BR   LIG    1        6.341  -0.252  -3.655  0.00  0.00    -0.041 Br
ATOM     20  C   LIG    1        3.789   0.992  -2.997  0.00  0.00    +0.136 A 
ATOM     21  N   LIG    1        2.565   0.867  -2.364  0.00  0.00    -0.232 NA
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3