REMARK  Name = BDB065171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.348  -0.374  -1.492  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.099  -1.629  -1.014  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        0.755  -2.518  -1.881  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        0.986  -2.170  -3.210  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        0.556  -0.936  -3.683  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.108  -0.047  -2.832  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.513   1.771  -0.854  0.00  0.00    +0.220 C 
ATOM      8  N   LIG    1       -1.019   0.502  -0.605  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -1.094   0.180   0.358  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.465   2.366  -1.926  0.00  0.00    -0.275 OA
BRANCH   7  12
ATOM     11  C   LIG    1       -2.470   3.877   0.160  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1       -2.154   2.399   0.390  0.00  0.00    +0.069 C 
ATOM     13  C   LIG    1       -3.423   1.644   0.782  0.00  0.00    +0.017 C 
ENDBRANCH   7  12
ENDBRANCH   1   8
BRANCH   2  14
ATOM     14  S   LIG    1       -0.154  -2.203   0.669  0.00  0.00    -0.050 S 
BRANCH  14  15
ATOM     15  C   LIG    1        0.747  -0.975   1.552  0.00  0.00    +0.197 C 
ATOM     16  O   LIG    1        0.163   0.018   1.973  0.00  0.00    -0.285 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.229  -1.242   1.733  0.00  0.00    +0.061 C 
ATOM     18  C   LIG    1        3.030  -0.120   1.081  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1        2.544  -1.350   3.222  0.00  0.00    +0.016 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 5