REMARK  Name = BDB051247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.201   0.391   2.690  0.00  0.00    +0.100 C 
ATOM      2  C   LIG    1        1.080   0.813   2.638  0.00  0.00    +0.001 C 
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.476  -0.838   3.459  0.00  0.00    +0.052 N 
ATOM      4  O   LIG    1       -1.643  -1.253   3.472  0.00  0.00    -0.126 OA
ATOM      5  O   LIG    1        0.464  -1.391   4.048  0.00  0.00    -0.126 OA
ENDBRANCH   1   3
BRANCH   2   6
ATOM      6  C   LIG    1        1.593   2.031   1.918  0.00  0.00    +0.029 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.340   1.695   0.622  0.00  0.00    +0.004 C 
BRANCH   7   8
ATOM      8  C   LIG    1        3.639   0.916   0.855  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.480   0.745  -0.416  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1        3.825  -0.170  -1.454  0.00  0.00    +0.001 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.653  -0.333  -2.735  0.00  0.00    +0.011 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.023  -0.979  -2.545  0.00  0.00    +0.120 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.937  -2.362  -1.966  0.00  0.00    +0.305 C 
ATOM     14  O   LIG    1        6.328  -2.706  -0.863  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        5.371  -3.249  -2.805  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1        5.385  -4.092  -2.304  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   2   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.411   1.031   2.064  0.00  0.00    +0.060 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.759   0.405   0.708  0.00  0.00    +0.006 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.900   1.126  -0.018  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.245   1.147   0.715  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.815  -0.224   1.095  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.010  -1.206  -0.064  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.228  -1.755  -2.200  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -5.985  -0.702  -1.129  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   1  17
TORSDOF 17