REMARK  Name = BDB003359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.274  -0.205  -0.053  0.00  0.00    +0.200 C 
ATOM      2  C   LIG    1       -1.109   0.374   0.304  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1        0.235  -0.226   0.212  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        1.352   0.612   0.307  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.662   0.105   0.197  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        2.876  -1.257   0.012  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        1.774  -2.105  -0.050  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.187   2.061   0.561  0.00  0.00    +0.254 C 
ATOM      9  O   LIG    1        2.167   2.799   0.466  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -0.081   2.515   0.913  0.00  0.00    -0.237 N 
ATOM     11  C   LIG    1       -0.205   3.916   1.275  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        0.472  -1.599   0.053  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -1.260   1.793   0.776  0.00  0.00    +0.256 C 
ATOM     14  O   LIG    1       -2.369   2.281   0.997  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6  15
ATOM     15  O   LIG    1        4.087  -1.877  -0.106  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1        5.242  -1.045  -0.087  0.00  0.00    +0.277 C 
ENDBRANCH   6  15
BRANCH   1  17
ATOM     17  O   LIG    1       -2.405  -1.458  -0.590  0.00  0.00    -0.499 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -4.481  -1.562  -1.840  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -3.744  -1.966  -0.575  0.00  0.00    +0.225 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3