REMARK  Name = BDB045459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.170  -1.287  -0.033  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.852  -0.073   0.093  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -3.244  -0.053   0.271  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -3.949  -1.260   0.348  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -3.275  -2.474   0.235  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -1.892  -2.485   0.043  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.014   1.215   0.402  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1       -5.164   1.225   0.827  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -3.416   2.377   0.002  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -2.552   2.414  -0.519  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1       -3.988   3.211   0.024  0.00  0.00    +0.145 HD
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  C   LIG    1        1.131  -0.356  -0.391  0.00  0.00    +0.218 C 
ATOM     13  N   LIG    1        0.223  -1.389  -0.230  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        0.599  -2.329  -0.253  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        0.874   0.843  -0.427  0.00  0.00    -0.275 OA
BRANCH  12  16
ATOM     16  C   LIG    1        2.548  -0.874  -0.589  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.577   0.242  -0.459  0.00  0.00    +0.083 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.096   2.148   1.190  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        3.693   0.714   0.978  0.00  0.00    +0.131 C 
ATOM     20  O   LIG    1        3.518  -0.051   1.927  0.00  0.00    -0.298 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  12  16
ENDBRANCH   1  13
TORSDOF 5