REMARK  Name = BDB064826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.210  -0.830   0.001  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        0.422   0.329  -0.694  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.871   0.015  -0.385  0.00  0.00    +0.220 C 
ATOM      4  C   LIG    1        2.397   0.754   0.852  0.00  0.00    +0.266 C 
ATOM      5  O   LIG    1        1.692   1.419   1.610  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1        3.755   0.679   1.061  0.00  0.00    -0.253 N 
ATOM      7  H   LIG    1        4.080   1.186   1.873  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        4.691   0.561   0.067  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1        5.842   0.953   0.233  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        4.231  -0.071  -1.225  0.00  0.00    +0.100 C 
ATOM     11  C   LIG    1        2.798   0.327  -1.559  0.00  0.00    +0.070 C 
ATOM     12  O   LIG    1        1.899  -1.393  -0.130  0.00  0.00    -0.377 OA
ATOM     13  N   LIG    1        0.613  -1.791   0.293  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.637  -0.081  -0.279  0.00  0.00    +0.129 A 
ATOM     15  C   LIG    1       -1.659  -0.886   0.336  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -2.038  -1.806   1.330  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -3.369  -1.922   1.724  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.335  -1.122   1.126  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.973  -0.210   0.130  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.206   1.623  -1.862  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.232   0.770  -1.272  0.00  0.00    -0.494 OA
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 2