REMARK  Name = BDB053363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.082   0.250   0.009  0.00  0.00    -0.244 N 
ATOM      2  C   LIG    1       -1.121  -0.571   0.474  0.00  0.00    +0.272 A 
ATOM      3  O   LIG    1       -1.077  -1.623   1.097  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -2.433  -0.014   0.116  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.344   1.168  -0.584  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.400   1.871  -1.031  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.613   1.339  -0.743  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1       -4.810   0.152  -0.026  0.00  0.00    -0.032 A 
ATOM      9  C   LIG    1       -6.188  -0.380   0.216  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -3.679  -0.550   0.405  0.00  0.00    +0.020 A 
ATOM     11  S   LIG    1       -0.662   1.653  -0.835  0.00  0.00    +0.017 S 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1        4.112  -0.465   0.520  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.667   0.663  -0.158  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        2.291   0.894  -0.324  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        1.320   0.008   0.181  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1        1.795  -1.121   0.861  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        3.168  -1.353   1.027  0.00  0.00    +0.047 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.410   0.071   0.250  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.413  -0.810   0.752  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
TORSDOF 2