REMARK  Name = BDB032866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.587  -0.780   0.346  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.230  -1.133   0.148  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        0.124  -2.475  -0.079  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.860  -3.459  -0.157  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.197  -3.111  -0.001  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.558  -1.784   0.253  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.089   2.587   1.193  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.165   1.130   0.807  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -1.917   0.565   0.647  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -1.111   1.175   0.810  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.248   0.582   0.634  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   2  12
ATOM     12  C   LIG    1        0.836  -0.082   0.178  0.00  0.00    +0.251 C 
ATOM     13  N   LIG    1        1.888  -0.291  -0.687  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        1.879  -1.052  -1.349  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1        0.673   0.891   0.908  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.941   0.576  -0.779  0.00  0.00    +0.166 A 
ATOM     17  S   LIG    1        4.082   0.152  -1.983  0.00  0.00    -0.040 S 
ATOM     18  C   LIG    1        4.989   1.520  -1.552  0.00  0.00    +0.099 A 
ATOM     19 CL   LIG    1        6.454   1.889  -2.356  0.00  0.00    -0.074 Cl
ATOM     20  C   LIG    1        4.384   2.210  -0.532  0.00  0.00    +0.140 A 
ATOM     21  N   LIG    1        3.197   1.657  -0.086  0.00  0.00    -0.231 NA
ENDBRANCH  13  16
ENDBRANCH   2  12
TORSDOF 3