REMARK  Name = BDB062180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.282  -1.862  -1.062  0.00  0.00    +0.223 C 
ATOM      2  N   LIG    1        1.570  -0.925  -0.352  0.00  0.00    -0.264 N 
ATOM      3  H   LIG    1        2.031  -0.338   0.333  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.827  -2.663  -1.874  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1        4.156  -0.228   0.903  0.00  0.00    -0.269 N 
ATOM      6  C   LIG    1        4.163  -1.702   0.645  0.00  0.00    +0.129 C 
ATOM      7  C   LIG    1        3.790  -1.825  -0.822  0.00  0.00    +0.095 C 
ATOM      8  C   LIG    1        4.458  -0.616  -1.458  0.00  0.00    +0.034 C 
ATOM      9  C   LIG    1        4.427   0.472  -0.392  0.00  0.00    +0.117 C 
BRANCH   5  11
ATOM     10  N   LIG    1        4.745   0.760   3.122  0.00  0.00    -0.174 NA
ATOM     11  C   LIG    1        4.476   0.302   2.095  0.00  0.00    +0.169 C 
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  12
ATOM     12  C   LIG    1        0.218  -0.770  -0.466  0.00  0.00    +0.166 A 
ATOM     13  S   LIG    1       -0.425   0.420   0.563  0.00  0.00    -0.037 S 
ATOM     14  C   LIG    1       -2.023   0.106  -0.041  0.00  0.00    +0.090 A 
ATOM     15  C   LIG    1       -1.893  -0.887  -1.010  0.00  0.00    +0.144 A 
ATOM     16  N   LIG    1       -0.626  -1.389  -1.242  0.00  0.00    -0.231 NA
BRANCH  14  17
ATOM     17  N   LIG    1       -3.157   0.777   0.374  0.00  0.00    -0.319 N 
ATOM     18  C   LIG    1       -4.477   0.226  -0.014  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1       -5.594   1.255   0.213  0.00  0.00    +0.178 C 
ATOM     20  O   LIG    1       -5.608   1.726   1.567  0.00  0.00    -0.377 OA
ATOM     21  C   LIG    1       -4.360   2.363   1.868  0.00  0.00    +0.178 C 
ATOM     22  C   LIG    1       -3.178   1.393   1.724  0.00  0.00    +0.133 C 
ENDBRANCH  14  17
ENDBRANCH   2  12
TORSDOF 4