REMARK  Name = BDB047909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.306   1.683   0.185  0.00  0.00    +0.224 A 
ATOM      2  C   LIG    1        2.251   0.668   0.189  0.00  0.00    +0.062 A 
ATOM      3  C   LIG    1        1.706  -0.614   0.129  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.583  -1.693   0.128  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        3.970  -1.518   0.185  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.506  -0.236   0.245  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1        0.384  -0.830   0.073  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -0.436   0.242   0.076  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        3.650   0.861   0.247  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -0.020   1.520   0.131  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.893  -0.007   0.015  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -2.413  -1.315  -0.045  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -3.790  -1.555  -0.104  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.683  -0.489  -0.104  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.201   0.815  -0.046  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.824   1.050   0.013  0.00  0.00    +0.011 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  O   LIG    1        1.678   2.991   0.239  0.00  0.00    -0.492 OA
ATOM     18  H   LIG    1        0.805   3.422   0.221  0.00  0.00    +0.294 HD
ENDBRANCH   1  17
TORSDOF 2