REMARK  Name = BDB015447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.131  -0.450   0.970  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -1.004   0.290   1.781  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.542  -0.579   2.834  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -0.681  -1.826   2.643  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.048  -1.673   1.358  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.193  -0.314  -0.959  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        2.146  -1.349  -1.131  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        0.736  -0.741  -1.287  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.382   0.132  -0.150  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.417   1.175   0.041  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.827   0.553   0.184  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.662   0.035  -0.830  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.504  -0.955  -0.772  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -1.910   1.654   1.395  0.00  0.00    +0.078 S 
ATOM     15  O   LIG    1       -1.084   2.603   0.679  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.589   2.040   2.618  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.182   1.131   0.266  0.00  0.00    +0.127 A 
ATOM     18  C   LIG    1       -4.138   2.062  -0.158  0.00  0.00    +0.068 A 
ATOM     19 CL   LIG    1       -4.166   3.717   0.339  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1       -5.148   1.664  -1.045  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -5.208   0.350  -1.509  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.257  -0.574  -1.090  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.246  -0.189  -0.206  0.00  0.00    +0.030 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4