REMARK  Name = BDB018192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.529  -0.104   0.010  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -0.561  -1.415   0.058  0.00  0.00    -0.052 S 
ATOM      3  C   LIG    1       -1.864  -0.311   0.287  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -1.352   0.975   0.309  0.00  0.00    +0.129 A 
ATOM      5  N   LIG    1        0.016   1.088   0.155  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.251  -0.770   0.393  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -4.264  -0.098  -0.310  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -5.599  -0.520  -0.216  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -5.922  -1.629   0.573  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.925  -2.297   1.281  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.599  -1.868   1.195  0.00  0.00    +0.009 A 
BRANCH   8  12
ATOM     12  C   LIG    1       -6.695   0.159  -0.957  0.00  0.00    +0.242 C 
ATOM     13  O   LIG    1       -7.751  -0.409  -1.203  0.00  0.00    -0.270 OA
ATOM     14  N   LIG    1       -6.499   1.461  -1.325  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1       -7.309   1.931  -1.714  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -5.792   2.042  -0.900  0.00  0.00    +0.145 HD
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  C   LIG    1        2.849   0.452  -0.324  0.00  0.00    +0.257 C 
ATOM     18  N   LIG    1        1.832  -0.469  -0.166  0.00  0.00    -0.262 N 
ATOM     19  H   LIG    1        2.023  -1.455  -0.293  0.00  0.00    +0.157 HD
ATOM     20  O   LIG    1        2.744   1.673  -0.335  0.00  0.00    -0.272 OA
BRANCH  17  23
ATOM     21  N   LIG    1        6.003   0.619   0.966  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        4.856  -0.345   0.958  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1        4.209  -0.240  -0.427  0.00  0.00    +0.204 C 
ATOM     24  F   LIG    1        4.066  -1.497  -0.953  0.00  0.00    -0.230 F 
ATOM     25  C   LIG    1        5.216   0.531  -1.264  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1        5.896   1.447  -0.262  0.00  0.00    +0.120 C 
BRANCH  21  28
ATOM     27  N   LIG    1        7.144   1.369   3.056  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        6.619   1.025   2.084  0.00  0.00    +0.169 C 
ENDBRANCH  21  28
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 5