REMARK  Name = BDB012928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.816   0.673  -0.026  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1       -0.830  -0.265  -0.307  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.503   0.162  -0.698  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.190  -1.115  -1.200  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.504  -2.205  -0.381  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.935  -1.715  -0.292  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.540   1.875  -0.009  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.377   0.295   0.797  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -4.957  -0.961   0.462  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -5.505  -1.814   0.436  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.659  -1.033   0.131  0.00  0.00    -0.169 NA
ATOM     12  C   LIG    1       -3.202   0.229   0.254  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -4.260   1.090   0.667  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.767   0.330   0.069  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.781   0.622   1.200  0.00  0.00    +0.031 C 
ATOM     16  C   LIG    1       -7.181  -0.118   2.476  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.629  -1.115  -1.034  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        3.020  -1.409  -0.149  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.424  -0.356  -1.862  0.00  0.00    +0.224 C 
ATOM     20  O   LIG    1        3.025   0.248  -2.848  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.871  -0.291  -1.448  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        5.915  -0.526  -2.539  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1        5.686  -1.581  -1.505  0.00  0.00    +0.022 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.200   0.749  -0.387  0.00  0.00    -0.014 A 
ATOM     25  C   LIG    1        5.391   0.422   0.957  0.00  0.00    +0.115 A 
ATOM     26  N   LIG    1        5.657   1.306   1.948  0.00  0.00    -0.263 NA
ATOM     27  C   LIG    1        5.739   2.604   1.591  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1        5.567   3.053   0.294  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.294   2.113  -0.697  0.00  0.00    +0.007 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5