REMARK  Name = BDB002721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.161  -0.426  -0.194  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1        0.389  -1.407  -0.299  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.014   0.263  -0.277  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -3.137   1.352  -0.301  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -1.751   1.153  -0.269  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.220  -0.136  -0.196  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -2.101  -1.226  -0.202  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -3.487  -1.032  -0.233  0.00  0.00    +0.017 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -5.478   0.533  -0.315  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1       -5.956   1.653  -0.390  0.00  0.00    -0.245 OA
BRANCH   9  12
ATOM     11  C   LIG    1       -7.596  -0.448  -0.280  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1       -6.179  -0.627  -0.254  0.00  0.00    -0.464 OA
ENDBRANCH   9  12
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  13
ATOM     13  C   LIG    1        1.265   0.338   0.203  0.00  0.00    +0.139 C 
ATOM     14  S   LIG    1        1.223   1.702   1.169  0.00  0.00    -0.018 S 
BRANCH  13  15
ATOM     15  N   LIG    1        2.408  -0.248  -0.352  0.00  0.00    -0.297 N 
ATOM     16  H   LIG    1        2.223  -0.691  -1.244  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.778  -0.100  -0.044  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        4.266   0.303   1.201  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        5.643   0.394   1.434  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        6.534   0.062   0.421  0.00  0.00    +0.117 A 
ATOM     21  C   LIG    1        6.071  -0.369  -0.813  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        4.696  -0.457  -1.042  0.00  0.00    +0.027 A 
BRANCH  20  23
ATOM     23  O   LIG    1        7.882   0.136   0.606  0.00  0.00    -0.507 OA
ATOM     24  H   LIG    1        8.054   0.482   1.497  0.00  0.00    +0.292 HD
ENDBRANCH  20  23
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 7