REMARK  Name = BDB041965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.291  -0.223  -0.814  0.00  0.00    +0.145 A 
ATOM      2  C   LIG    1        1.593   0.660  -1.528  0.00  0.00    +0.119 A 
ATOM      3  C   LIG    1        0.125   0.735  -1.404  0.00  0.00    +0.271 A 
ATOM      4  O   LIG    1       -0.481   1.595  -2.040  0.00  0.00    -0.266 OA
ATOM      5  N   LIG    1       -0.478  -0.202  -0.569  0.00  0.00    -0.217 N 
ATOM      6  N   LIG    1        0.220  -1.160   0.144  0.00  0.00    -0.172 NA
ATOM      7  C   LIG    1        1.506  -1.164   0.009  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -1.912  -0.080  -0.302  0.00  0.00    +0.197 C 
ATOM      9  C   LIG    1       -2.131   0.807   0.931  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -1.321   1.629   1.357  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -3.364   0.686   1.539  0.00  0.00    -0.255 N 
ATOM     12  H   LIG    1       -3.511   1.276   2.345  0.00  0.00    +0.158 HD
ATOM     13  C   LIG    1       -4.316  -0.279   1.322  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1       -5.316  -0.352   2.029  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.090  -1.198   0.145  0.00  0.00    +0.099 C 
ATOM     16  C   LIG    1       -2.606  -1.426  -0.096  0.00  0.00    +0.045 C 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     17  O   LIG    1        3.660  -0.330  -0.909  0.00  0.00    -0.490 OA
BRANCH  17  19
ATOM     18  C   LIG    1        4.638   1.469   0.387  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        4.332  -0.017   0.316  0.00  0.00    +0.226 C 
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 3