REMARK  Name = BDB003809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.100  -1.290  -2.128  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -1.379  -1.971  -2.828  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.260  -1.234  -2.090  0.00  0.00    +0.220 C 
ATOM      4  O   LIG    1        0.853  -1.926  -2.926  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.036  -0.410  -1.069  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        2.536  -0.366  -1.429  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        3.382   0.091  -0.247  0.00  0.00    +0.109 C 
ATOM      8  N   LIG    1        3.212  -0.780   0.917  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        4.235  -1.046   1.842  0.00  0.00    +0.253 C 
ATOM     10  O   LIG    1        4.163  -2.027   2.585  0.00  0.00    -0.269 OA
ATOM     11  C   LIG    1        2.041  -1.651   0.926  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1        0.815  -0.941   0.360  0.00  0.00    +0.032 C 
BRANCH   9  13
ATOM     13  C   LIG    1        5.354  -0.114   1.905  0.00  0.00    +0.074 A 
ATOM     14  S   LIG    1        6.948  -0.736   2.017  0.00  0.00    -0.092 S 
ATOM     15  C   LIG    1        7.629   0.832   2.054  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        6.666   1.815   2.010  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        5.351   1.269   1.936  0.00  0.00    +0.021 A 
ENDBRANCH   9  13
ENDBRANCH   3   5
BRANCH   1  21
ATOM     18  C   LIG    1       -4.486   0.489  -0.298  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1       -4.593  -0.580  -1.181  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1       -3.445  -1.135  -1.763  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.164  -0.644  -1.475  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -2.064   0.435  -0.604  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.213   0.993  -0.018  0.00  0.00    +0.025 A 
BRANCH  18  26
ATOM     24  C   LIG    1       -7.809   1.661   1.052  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1       -6.921   0.777   0.211  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1       -5.583   1.108   0.335  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1       -5.362   1.876   0.955  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -7.397  -0.130  -0.462  0.00  0.00    -0.276 OA
ENDBRANCH  18  26
ENDBRANCH   1  21
TORSDOF 4