REMARK  Name = BDB015388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.890  -0.202   2.672  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1       -0.086   0.648   1.889  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1       -0.147   1.900   2.219  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.999   1.983   3.426  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.692   0.635   3.580  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        0.651   0.132   0.860  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.669  -0.902   1.157  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.095  -0.393   0.861  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.323  -0.058  -0.570  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        2.058   0.419  -1.187  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        1.070   1.074  -0.202  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        4.367   0.986  -0.680  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.752   0.435  -0.242  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        5.983  -0.042  -1.688  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        4.934   0.996  -2.129  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -1.614  -1.648   2.199  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -2.518  -2.060   3.257  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -0.626  -2.579   1.698  0.00  0.00    -0.150 OA
BRANCH  16  24
ATOM     19  C   LIG    1       -6.090   0.276  -2.798  0.00  0.00    +0.156 C 
ATOM     20  N   LIG    1       -4.745  -0.146  -2.530  0.00  0.00    -0.277 N 
ATOM     21  C   LIG    1       -4.233  -0.449  -1.292  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1       -2.917  -0.810  -1.506  0.00  0.00    +0.159 A 
ATOM     23  C   LIG    1       -2.088  -1.183  -0.472  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -2.633  -1.156   0.818  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -3.986  -0.809   1.036  0.00  0.00    +0.031 A 
ATOM     26  O   LIG    1       -2.556  -0.751  -2.843  0.00  0.00    -0.407 OA
ATOM     27  C   LIG    1       -4.804  -0.442  -0.037  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1       -3.743  -0.326  -3.461  0.00  0.00    +0.421 A 
ATOM     29  O   LIG    1       -3.834  -0.146  -4.667  0.00  0.00    -0.223 OA
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 4