REMARK  Name = BDB035266
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.384  -1.903  -2.328  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.942  -3.206  -2.039  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.808  -1.594  -3.619  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1  10
ATOM      4  C   LIG    1       -3.317   0.942  -2.071  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -2.837   0.840  -0.608  0.00  0.00    +0.000 C 
ATOM      6  C   LIG    1       -1.797  -0.261  -0.399  0.00  0.00    -0.018 A 
ATOM      7  C   LIG    1       -1.730  -0.914   0.845  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -0.744  -1.868   1.114  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1        0.193  -2.196   0.137  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        0.152  -1.539  -1.094  0.00  0.00    +0.109 A 
ATOM     11  N   LIG    1       -2.638  -0.594   1.857  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -2.501  -0.948   2.796  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -3.742   0.191   1.682  0.00  0.00    +0.218 C 
ATOM     14  O   LIG    1       -4.463   0.494   2.629  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -0.839  -0.589  -1.372  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -4.079   0.556   0.258  0.00  0.00    +0.107 C 
ATOM     17  C   LIG    1       -2.208   2.190  -0.206  0.00  0.00    +0.016 C 
ENDBRANCH   1  10
BRANCH   1  18
ATOM     18  N   LIG    1        2.550  -0.716  -2.046  0.00  0.00    -0.214 N 
ATOM     19  H   LIG    1        2.442   0.110  -2.629  0.00  0.00    +0.174 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.120  -0.593  -0.753  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1        2.755   0.457   0.108  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        3.253   0.570   1.419  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.646   1.741   1.974  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        1.817   2.288   1.023  0.00  0.00    +0.103 A 
ATOM     25 CL   LIG    1        2.862   2.386   3.534  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1        4.157  -0.432   1.843  0.00  0.00    +0.052 A 
ATOM     27 CL   LIG    1        4.787  -0.339   3.428  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.527  -1.486   1.005  0.00  0.00    +0.022 A 
ATOM     29  N   LIG    1        1.889   1.510  -0.095  0.00  0.00    -0.358 N 
ATOM     30  H   LIG    1        1.369   1.671  -0.946  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1        4.004  -1.566  -0.280  0.00  0.00    +0.028 A 
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 3