REMARK  Name = BDB012282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.487  -1.865   0.209  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        0.864  -1.511   0.202  0.00  0.00    -0.214 N 
ATOM      3  N   LIG    1        1.663  -2.619   0.301  0.00  0.00    -0.173 NA
ATOM      4  C   LIG    1        0.818  -3.643   0.391  0.00  0.00    +0.135 A 
ATOM      5  C   LIG    1       -0.520  -3.241   0.344  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.610   0.819  -2.621  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.150   0.355  -1.272  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1       -2.045  -0.500  -1.156  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.622  -0.956   0.099  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.328  -0.572   1.244  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -3.438   0.266   1.136  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.850   0.724  -0.117  0.00  0.00    +0.003 A 
ENDBRANCH   1   9
BRANCH   2  13
ATOM     13  C   LIG    1        1.453  -0.203   0.118  0.00  0.00    +0.155 A 
ATOM     14  N   LIG    1        0.646   0.887   0.045  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1        1.220   2.106  -0.029  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        2.585   2.307  -0.037  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        3.407   1.185   0.038  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1        2.841  -0.089   0.117  0.00  0.00    +0.063 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.884   1.299   0.037  0.00  0.00    +0.337 C 
ATOM     20  O   LIG    1        5.673   0.376   0.098  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        5.306   2.574  -0.040  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        6.283   2.496  -0.031  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   2  13
TORSDOF 4