REMARK  Name = BDB018111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.943  -1.313  -0.990  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        1.955  -2.024  -1.937  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.516  -1.607  -1.657  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        0.115  -1.945  -0.292  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1       -1.228  -1.793   0.024  0.00  0.00    +0.305 C 
ATOM      6  N   LIG    1       -1.633  -2.253   1.275  0.00  0.00    -0.288 N 
ATOM      7  C   LIG    1       -1.303  -3.622   1.651  0.00  0.00    +0.133 C 
ATOM      8  O   LIG    1       -2.019  -1.236  -0.740  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1        1.173  -1.960   0.720  0.00  0.00    +0.110 C 
ATOM     10  C   LIG    1        2.305  -0.996   0.374  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        3.459  -0.019  -1.621  0.00  0.00    +0.166 C 
ATOM     12  O   LIG    1        2.813   0.573  -2.485  0.00  0.00    -0.292 OA
BRANCH  11  16
ATOM     13  C   LIG    1        7.180   1.796  -0.394  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        6.354   2.410  -1.333  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        5.152   1.801  -1.715  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.759   0.572  -1.165  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        5.591  -0.041  -0.225  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.792   0.571   0.154  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        8.813   3.521  -0.462  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        8.373   2.276   0.068  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  C   LIG    1       -2.940  -1.792   1.758  0.00  0.00    +0.116 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.033  -0.270   1.906  0.00  0.00    +0.093 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.257   0.261   1.201  0.00  0.00    +0.112 A 
ATOM     24  N   LIG    1       -4.223   0.244  -0.168  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -3.421  -0.162  -0.653  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -5.264   0.668  -0.954  0.00  0.00    +0.259 A 
ATOM     27  O   LIG    1       -5.244   0.612  -2.178  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -6.430   1.194  -0.223  0.00  0.00    +0.065 A 
ATOM     29  C   LIG    1       -6.377   1.181   1.173  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1       -7.472   1.672   1.887  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -8.597   2.164   1.216  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.635   2.170  -0.179  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -7.550   1.683  -0.905  0.00  0.00    +0.015 A 
ATOM     34  N   LIG    1       -5.267   0.694   1.885  0.00  0.00    -0.234 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6