REMARK  Name = BDB036849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.261   1.904   0.268  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.407   0.566   0.841  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.728  -0.015   1.436  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1       -0.684  -0.536   2.548  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.709   0.244   1.472  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.899   1.012   0.867  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        3.145   2.186   1.144  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.609   0.377  -0.124  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.320   0.932  -0.581  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.338  -0.836  -0.702  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        3.909  -1.187  -1.730  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.269  -1.676  -0.048  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.046  -1.256   1.398  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1       -1.955  -0.049   0.655  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1       -2.121  -0.007  -0.719  0.00  0.00    +0.121 A 
ATOM     16  N   LIG    1       -3.461  -0.116  -0.949  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -4.128  -0.122  -2.228  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1       -4.187  -0.240   0.174  0.00  0.00    -0.179 NA
ATOM     19  C   LIG    1       -3.269  -0.224   1.145  0.00  0.00    +0.147 A 
ENDBRANCH   3  14
TORSDOF 2