REMARK  Name = BDB031667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.250  -2.391   0.790  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.423  -2.489   1.786  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.996   0.951  -1.221  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.887   0.114  -0.641  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.106   0.516   0.478  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.098  -0.343   0.942  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.495   0.276   2.016  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.269  -0.114   2.550  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.073   1.490   2.254  0.00  0.00    +0.103 A 
ATOM     10  C   LIG    1       -0.822  -1.578   0.340  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.585  -1.955  -0.761  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -2.070   1.668   1.326  0.00  0.00    +0.066 A 
ATOM     13 CL   LIG    1       -3.068   3.042   1.225  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1       -2.599  -1.130  -1.240  0.00  0.00    +0.006 A 
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  S   LIG    1        1.625  -2.563  -0.168  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        2.629  -3.164   0.685  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        1.265  -3.151  -1.439  0.00  0.00    -0.150 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.124  -0.879  -0.458  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        2.964  -0.242   0.462  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.350   1.083   0.235  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        2.905   1.754  -0.911  0.00  0.00    +0.019 A 
ATOM     22  C   LIG    1        2.084   1.102  -1.835  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        1.696  -0.219  -1.614  0.00  0.00    +0.029 A 
BRANCH  20  24
ATOM     24  C   LIG    1        4.191   1.757   1.181  0.00  0.00    +0.099 C 
ATOM     25  N   LIG    1        4.856   2.298   1.962  0.00  0.00    -0.191 NA
ENDBRANCH  20  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 4