REMARK  Name = BDB018110
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.858   0.811   0.790  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1       -1.643   1.516   1.424  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1       -0.353   0.732   1.206  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1       -0.067   0.574  -0.220  0.00  0.00    -0.286 N 
ATOM      5  C   LIG    1        1.253   0.422  -0.602  0.00  0.00    +0.302 C 
ATOM      6  N   LIG    1        1.462   0.388  -1.959  0.00  0.00    -0.299 N 
ATOM      7  H   LIG    1        0.822   0.967  -2.480  0.00  0.00    +0.150 HD
ATOM      8  O   LIG    1        2.181   0.315   0.196  0.00  0.00    -0.253 OA
ATOM      9  C   LIG    1       -1.213   0.446  -1.120  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1       -2.461  -0.066  -0.408  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -3.570  -0.055   1.829  0.00  0.00    +0.166 C 
ATOM     12  O   LIG    1       -2.947  -0.588   2.747  0.00  0.00    -0.292 OA
BRANCH  11  16
ATOM     13  C   LIG    1       -7.817  -0.809   1.641  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1       -7.199  -0.105   0.608  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -5.820   0.151   0.648  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -5.045  -0.293   1.725  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1       -5.672  -1.002   2.759  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -7.046  -1.254   2.715  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -9.971  -0.720   0.637  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -9.145  -1.122   1.722  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1        2.815   0.321  -2.493  0.00  0.00    +0.113 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.518  -1.001  -2.188  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.839  -0.762  -1.500  0.00  0.00    +0.112 A 
ATOM     24  N   LIG    1        4.779  -0.333  -0.201  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        3.872  -0.147   0.234  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        5.888  -0.051   0.554  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1        5.827   0.365   1.705  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1        7.180  -0.276  -0.118  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1        7.150  -0.719  -1.443  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        8.362  -0.937  -2.101  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1        9.578  -0.714  -1.447  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        9.592  -0.270  -0.124  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        8.390  -0.049   0.547  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1        5.950  -0.953  -2.136  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6