REMARK  Name = BDB009657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.004  -1.261  -0.391  0.00  0.00    -0.170 NA
ATOM      2  S   LIG    1        2.452  -1.176   0.510  0.00  0.00    +0.039 S 
ATOM      3  O   LIG    1        2.198  -1.784   1.796  0.00  0.00    -0.157 OA
ATOM      4  O   LIG    1        3.522  -1.649  -0.351  0.00  0.00    -0.157 OA
ATOM      5  C   LIG    1        2.722   0.587   0.735  0.00  0.00    +0.112 C 
ATOM      6  C   LIG    1        3.838   0.755   1.801  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1        1.450   1.212   1.320  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        0.157   0.979   0.527  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -0.179  -0.528   0.220  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -0.985   1.694   1.263  0.00  0.00    -0.041 A 
ATOM     11  C   LIG    1       -1.632   2.780   0.649  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -2.683   3.432   1.294  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -3.468   4.755   0.525  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.102   3.019   2.556  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.467   1.946   3.178  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -1.415   1.286   2.537  0.00  0.00    +0.004 A 
ENDBRANCH   8  10
BRANCH   9  17
ATOM     17  C   LIG    1       -1.434  -0.530  -0.668  0.00  0.00    -0.028 A 
ATOM     18  C   LIG    1       -2.659  -0.994  -0.156  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -3.821  -0.946  -0.930  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.774  -0.424  -2.220  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -5.206  -0.364  -3.171  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -2.575   0.052  -2.743  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.413   0.003  -1.970  0.00  0.00    +0.006 A 
ENDBRANCH   9  17
BRANCH   1  25
ATOM     24  C   LIG    1        0.228  -2.763  -2.285  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1        0.758  -2.698  -0.858  0.00  0.00    +0.074 C 
ATOM     26  C   LIG    1       -0.065  -3.545   0.108  0.00  0.00    +0.025 C 
ENDBRANCH   1  25
BRANCH   5  27
ATOM     27  C   LIG    1        3.265   1.242  -0.552  0.00  0.00    +0.151 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.568   0.955  -1.857  0.00  0.00    +0.307 C 
ATOM     29  O   LIG    1        1.734   1.705  -2.342  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        2.966  -0.174  -2.475  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        3.544  -0.771  -1.942  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6