REMARK  Name = BDB015402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.128   0.323  -0.671  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.962  -0.341  -1.593  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.414   0.638  -2.598  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.550   1.844  -2.253  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.079   1.574  -0.942  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.197  -0.158   0.518  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.607  -1.488   0.717  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.153  -1.583   0.187  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.353  -0.350   0.422  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -0.927   0.471   1.505  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.392   0.877   1.205  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.294   1.176   0.464  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.614  -0.122   0.885  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        2.047  -1.587  -1.271  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        2.816  -1.835  -2.476  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.397  -2.691  -0.597  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.167  -0.844  -0.096  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1        4.359  -0.263  -0.542  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        5.245   0.293   0.385  0.00  0.00    +0.061 A 
ATOM     20 CL   LIG    1        6.690   1.017  -0.225  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        4.947   0.252   1.754  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1        5.996   0.922   2.951  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.765  -0.355   2.192  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        2.877  -0.910   1.270  0.00  0.00    +0.030 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4