REMARK  Name = BDB045453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.182  -0.719   0.265  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -1.302  -1.389  -0.527  0.00  0.00    -0.282 N 
ATOM      3  H   LIG    1       -1.775  -2.066  -1.117  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -3.398  -0.804   0.080  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.080  -1.244  -0.755  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        0.835  -0.135  -0.366  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        2.203  -0.062  -0.670  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        2.824  -1.113  -1.351  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.074  -2.211  -1.763  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        0.708  -2.268  -1.477  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1        3.029   1.108  -0.272  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        4.242   1.015  -0.130  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.390   2.305  -0.100  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        1.479   2.495  -0.497  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.994   3.107   0.036  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  17
ATOM     16  C   LIG    1       -1.120  -0.656   2.556  0.00  0.00    +0.049 C 
ATOM     17  C   LIG    1       -1.721   0.095   1.409  0.00  0.00    +0.018 C 
ATOM     18  C   LIG    1       -1.935   1.422   1.420  0.00  0.00    +0.099 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.484   2.244   0.329  0.00  0.00    +0.330 C 
ATOM     20  O   LIG    1       -1.973   3.316   0.045  0.00  0.00    -0.246 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -3.586   1.768  -0.271  0.00  0.00    -0.478 OA
ATOM     22  H   LIG    1       -3.878   0.869   0.007  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  17
TORSDOF 5