REMARK  Name = BDB003207
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.778   0.130  -0.693  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   1   2
ATOM      2  S   LIG    1        0.720  -0.124  -2.401  0.00  0.00    +0.063 S 
ATOM      3  O   LIG    1        1.713  -1.136  -2.677  0.00  0.00    -0.153 OA
ATOM      4  O   LIG    1        0.777   1.177  -3.036  0.00  0.00    -0.153 OA
BRANCH   2   5
ATOM      5  C   LIG    1       -0.930  -0.724  -2.642  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.242  -1.912  -3.303  0.00  0.00    +0.067 A 
ATOM      7 CL   LIG    1       -0.096  -2.973  -4.028  0.00  0.00    -0.082 Cl
ATOM      8  C   LIG    1       -2.587  -2.291  -3.422  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -3.608  -1.493  -2.901  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.297  -0.298  -2.261  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.964   0.088  -2.134  0.00  0.00    +0.030 A 
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1        0.647  -1.130   0.123  0.00  0.00    +0.121 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.424  -0.939   1.192  0.00  0.00    +0.137 C 
BRANCH  13  15
ATOM     14  O   LIG    1       -0.012  -3.244   1.809  0.00  0.00    -0.251 OA
ATOM     15  C   LIG    1       -0.546  -2.172   2.044  0.00  0.00    +0.306 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.345  -1.984   3.120  0.00  0.00    -0.481 OA
ATOM     17  H   LIG    1       -1.700  -1.077   3.198  0.00  0.00    +0.295 HD
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   1  18
ATOM     18  C   LIG    1        1.998   0.916  -0.321  0.00  0.00    +0.144 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.877   1.572   1.037  0.00  0.00    -0.032 A 
ATOM     20  C   LIG    1        0.967   2.623   1.231  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        0.837   3.224   2.483  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        1.610   2.779   3.554  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.517   1.736   3.372  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.653   1.135   2.120  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8