REMARK  Name = BDB046504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.355   0.306   0.929  0.00  0.00    +0.095 C 
ENDROOT
BRANCH   1   9
ATOM      2  N   LIG    1       -2.935   1.618  -0.344  0.00  0.00    -0.265 N 
ATOM      3  C   LIG    1       -3.566   0.362  -0.582  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -2.900  -0.821  -0.223  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -3.507  -2.069  -0.381  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.784  -2.159  -0.927  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -5.456  -0.999  -1.300  0.00  0.00    +0.002 A 
ATOM      8  O   LIG    1       -1.659  -0.842   0.355  0.00  0.00    -0.478 OA
ATOM      9  C   LIG    1       -0.888   0.307   0.036  0.00  0.00    +0.262 C 
ATOM     10  C   LIG    1       -4.854   0.253  -1.123  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -1.627   1.651   0.142  0.00  0.00    +0.261 C 
ATOM     12  O   LIG    1       -1.077   2.683   0.528  0.00  0.00    -0.271 OA
BRANCH   2  14
ATOM     13  C   LIG    1       -4.486   3.163   0.816  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -3.669   2.876  -0.436  0.00  0.00    +0.110 C 
ENDBRANCH   2  14
ENDBRANCH   1   9
BRANCH   1  15
ATOM     15  C   LIG    1        1.214  -0.936   0.708  0.00  0.00    +0.233 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.413  -0.778   1.482  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.466  -1.475   0.947  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        4.634  -0.764   0.632  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.726  -1.464   0.099  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        5.656  -2.845  -0.098  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.498  -3.542   0.241  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.403  -2.859   0.769  0.00  0.00    +0.046 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.722   0.728   0.858  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.815   1.540  -0.035  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1        3.217   1.184  -1.037  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        3.727   2.824   0.380  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1        3.090   3.233  -0.243  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8