REMARK  Name = BDB018775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.659  -1.286  -0.051  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1        3.235  -0.879  -0.258  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1        3.147   0.608   0.135  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        2.532   0.721   1.531  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1        3.199   0.817   2.558  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1        1.166   0.618   1.605  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1        0.778   0.552   2.539  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        0.314   0.709   0.501  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        0.837   1.069  -0.743  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -0.022   1.189  -1.837  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -1.389   0.937  -1.683  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.924   0.576  -0.436  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -1.052   0.476   0.661  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        2.298   1.417  -0.854  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        4.607   1.071   0.116  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        5.387  -0.153   0.567  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1       -3.359   0.328  -0.283  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1       -3.827  -0.957   0.075  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1       -5.195  -1.172   0.221  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1       -5.323  -2.492   0.567  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1       -6.179  -3.001   0.755  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1       -4.157  -3.154   0.653  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1       -6.152  -0.171   0.028  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -5.683   1.095  -0.333  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.251  -2.223   0.345  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1       -4.317   1.341  -0.486  0.00  0.00    +0.009 A 
ENDBRANCH  12  17
BRANCH   1  28
ATOM     27  N   LIG    1        5.404  -3.664   0.099  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        5.061  -2.561   0.031  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 2