REMARK  Name = BDB049701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.827   0.233  -0.631  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.532  -0.476  -0.436  0.00  0.00    +0.268 A 
ATOM      3  O   LIG    1        0.484  -1.699  -0.444  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -0.509   0.452  -0.292  0.00  0.00    -0.246 N 
ATOM      5  S   LIG    1        0.036   2.076  -0.451  0.00  0.00    -0.011 S 
ATOM      6  C   LIG    1        1.656   1.557  -0.686  0.00  0.00    +0.075 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.889   0.139  -0.064  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -2.328  -1.184   0.111  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.678  -1.489   0.335  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.626  -0.475   0.392  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.223   0.843   0.225  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.874   1.145   0.001  0.00  0.00    +0.027 A 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  C   LIG    1        3.092  -0.524  -0.817  0.00  0.00    +0.200 C 
BRANCH  13  15
ATOM     14  C   LIG    1        4.468   0.034   1.043  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        3.627  -0.938   0.440  0.00  0.00    -0.378 OA
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 3