REMARK  Name = BDB034828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.451   0.554  -0.188  0.00  0.00    +0.225 C 
ATOM      2  N   LIG    1       -0.571  -0.504  -0.256  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1       -0.920  -1.453  -0.295  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1       -1.134   1.744  -0.137  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.801  -0.454  -0.281  0.00  0.00    +0.165 A 
ATOM      6  S   LIG    1        1.687   0.993  -0.228  0.00  0.00    -0.052 S 
ATOM      7  C   LIG    1        3.158   0.102  -0.299  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        2.851  -1.259  -0.359  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1        3.908  -2.190  -0.425  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.233  -1.739  -0.429  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        5.507  -0.376  -0.368  0.00  0.00    +0.019 A 
ATOM     12 BR   LIG    1        7.306   0.211  -0.375  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        4.482   0.572  -0.302  0.00  0.00    +0.032 A 
ATOM     14  N   LIG    1        1.500  -1.561  -0.348  0.00  0.00    -0.225 NA
ENDBRANCH   2   5
BRANCH   1  17
ATOM     15  N   LIG    1       -4.942   0.825  -0.107  0.00  0.00    -0.268 N 
ATOM     16  C   LIG    1       -3.844   0.713   0.910  0.00  0.00    +0.130 C 
ATOM     17  C   LIG    1       -2.928   0.109  -0.181  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1       -3.885   0.814  -1.172  0.00  0.00    +0.130 C 
BRANCH  15  20
ATOM     19  N   LIG    1       -6.808   2.479   0.009  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -5.946   1.709  -0.045  0.00  0.00    +0.169 C 
ENDBRANCH  15  20
ENDBRANCH   1  17
TORSDOF 3