REMARK  Name = BDB046019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.231   0.611   0.686  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -2.278   1.151  -0.226  0.00  0.00    +0.118 C 
ATOM      3  C   LIG    1       -3.485   0.914   0.653  0.00  0.00    +0.317 C 
ATOM      4  O   LIG    1       -2.975   0.835   1.982  0.00  0.00    -0.378 OA
ATOM      5  N   LIG    1       -1.616   0.450   1.913  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        2.774  -0.263  -0.587  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        2.360  -0.559   0.711  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.051  -0.270   1.114  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.145   0.317   0.222  0.00  0.00    -0.000 A 
ATOM     10  C   LIG    1        0.560   0.618  -1.077  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        1.869   0.326  -1.474  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        4.975  -1.094  -0.245  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.017  -0.492  -1.108  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1       -4.260  -0.339   0.274  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -4.157  -0.976  -0.764  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.179  -0.699   1.194  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.576  -1.521   0.841  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 4