REMARK  Name = BDB029511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.703  -1.776  -0.795  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.700  -0.822  -0.833  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -3.095  -1.191  -0.638  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -3.787   0.108  -0.203  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -5.237   0.158  -0.650  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -5.731  -0.614  -1.466  0.00  0.00    -0.275 OA
ATOM      7  N   LIG    1       -5.995   1.160  -0.094  0.00  0.00    -0.256 N 
ATOM      8  H   LIG    1       -6.958   1.170  -0.406  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -5.832   1.654   1.174  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -6.766   2.186   1.768  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -4.454   1.538   1.778  0.00  0.00    +0.097 C 
ATOM     12  C   LIG    1       -3.746   0.268   1.326  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -2.955   1.167  -0.953  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.534   0.620  -0.910  0.00  0.00    +0.109 C 
ATOM     15  O   LIG    1       -0.902  -2.969  -0.596  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  21
ATOM     16  C   LIG    1        4.983  -0.429   0.432  0.00  0.00    +0.165 A 
ATOM     17  S   LIG    1        4.964  -0.070  -1.226  0.00  0.00    -0.052 S 
ATOM     18  C   LIG    1        3.307  -0.517  -1.322  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        2.881  -0.917  -0.054  0.00  0.00    +0.081 A 
ATOM     20  C   LIG    1        1.549  -1.336   0.120  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        0.687  -1.322  -0.982  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        1.129  -0.934  -2.247  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        2.450  -0.519  -2.436  0.00  0.00    +0.018 A 
ATOM     24  N   LIG    1        3.848  -0.853   0.934  0.00  0.00    -0.225 NA
BRANCH  16  27
ATOM     25  C   LIG    1        7.883   0.514  -0.313  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        7.360   0.102   1.033  0.00  0.00    +0.216 C 
ATOM     27  N   LIG    1        6.080  -0.295   1.238  0.00  0.00    -0.265 N 
ATOM     28  H   LIG    1        5.891  -0.550   2.200  0.00  0.00    +0.157 HD
ATOM     29  O   LIG    1        8.118   0.120   2.009  0.00  0.00    -0.276 OA
ENDBRANCH  16  27
ENDBRANCH   1  21
TORSDOF 2