REMARK  Name = BDB015433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.297   0.265  -1.927  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        1.043  -0.869  -2.256  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.584  -0.735  -3.607  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        1.178   0.703  -3.933  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1        0.328   1.200  -2.819  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.721   0.911   1.046  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.793   0.039  -0.148  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.469  -0.662  -0.518  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -0.360   0.301  -0.730  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -0.622   1.638  -0.155  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -1.376   1.514   1.183  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -3.261   1.127   3.471  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -3.139   0.203   2.264  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.624  -2.091  -1.288  0.00  0.00    +0.078 S 
ATOM     15  O   LIG    1        2.808  -2.674  -1.887  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.502  -2.948  -0.950  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.157  -1.297   0.213  0.00  0.00    +0.127 A 
ATOM     18  C   LIG    1        3.134  -0.298   0.220  0.00  0.00    +0.069 A 
ATOM     19 CL   LIG    1        3.957   0.268  -1.185  0.00  0.00    -0.081 Cl
ATOM     20  C   LIG    1        3.495   0.304   1.433  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        2.892  -0.097   2.624  0.00  0.00    +0.042 A 
ATOM     22 CL   LIG    1        3.336   0.658   4.104  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        1.934  -1.105   2.625  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        1.569  -1.709   1.422  0.00  0.00    +0.032 A 
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 4