REMARK  Name = BDB046849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.147   0.106  -0.945  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.482  -0.413  -0.238  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1        3.015  -0.685  -1.649  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        1.754  -1.569  -1.686  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.734  -1.218  -0.680  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.324  -1.323   0.666  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        2.701  -0.733   0.810  0.00  0.00    -0.008 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.354   1.338   0.344  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.224   1.918   0.927  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        4.964   1.341   0.737  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.815   0.180  -0.037  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.955  -0.392  -0.617  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        7.217   0.181  -0.428  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.694   2.403   0.694  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.647   1.927   0.538  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.222   0.290  -0.278  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.256  -0.721  -0.774  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.580  -0.483  -0.092  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1       -3.705  -1.011   1.165  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.955  -1.546   1.579  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -4.834  -0.871   1.931  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -4.924  -1.355   3.052  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.926  -0.100   1.314  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1       -5.710   0.407   0.030  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -6.730   1.142  -0.577  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.941   1.363   0.088  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -8.141   0.849   1.371  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.132   0.114   1.990  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1       -4.507   0.208  -0.670  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6