REMARK  Name = BDB015451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.066  -0.804   0.297  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        1.220  -0.596   0.803  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.691  -1.827   1.435  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.697  -2.827   0.845  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.440  -2.046   0.290  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.667   1.220  -0.246  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.161  -0.030  -0.864  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.683   0.059  -1.291  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.799   0.264  -0.124  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.417   1.094   0.938  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.564   1.972   0.399  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.995   0.363   0.012  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.769   0.964   0.692  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        2.132   0.790   0.969  0.00  0.00    +0.080 S 
ATOM     15  O   LIG    1        1.582   1.912   0.239  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        2.357   0.924   2.394  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.653   0.374   0.143  0.00  0.00    +0.145 A 
ATOM     18  C   LIG    1        3.619   0.083  -1.235  0.00  0.00    +0.069 A 
ATOM     19 CL   LIG    1        2.188   0.073  -2.210  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        4.797  -0.240  -1.924  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        6.017  -0.271  -1.263  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        6.061   0.026   0.094  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.891   0.352   0.803  0.00  0.00    +0.069 A 
ATOM     24 CL   LIG    1        5.159   0.699   2.473  0.00  0.00    -0.081 Cl
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4