REMARK  Name = BDB051248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.369  -0.637   0.181  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.070  -1.582  -0.756  0.00  0.00    +0.001 C 
ATOM      3  C   LIG    1        4.363  -1.959  -0.690  0.00  0.00    +0.100 C 
BRANCH   3   4
ATOM      4  N   LIG    1        4.838  -2.896  -1.724  0.00  0.00    +0.052 N 
ATOM      5  O   LIG    1        4.157  -3.035  -2.749  0.00  0.00    -0.126 OA
ATOM      6  O   LIG    1        5.904  -3.487  -1.509  0.00  0.00    -0.126 OA
ENDBRANCH   3   4
BRANCH   3   7
ATOM      7  C   LIG    1        5.389  -1.584   0.345  0.00  0.00    +0.061 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.464  -0.604  -0.145  0.00  0.00    +0.017 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.901   0.755  -0.561  0.00  0.00    +0.121 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.995   1.722  -0.925  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1        8.198   1.546  -0.847  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.499   2.893  -1.369  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        7.296   3.428  -1.575  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        1.482  -1.349   1.207  0.00  0.00    +0.004 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.346  -2.202   0.628  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.635  -1.468  -0.292  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.356  -0.304   0.393  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.405   0.316  -0.535  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.079   1.559   0.055  0.00  0.00    -0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.844   1.341   1.364  0.00  0.00    -0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.944   0.275   1.319  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.029   0.486   0.258  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -7.942   1.900  -0.571  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.808   1.790   0.436  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 17