REMARK  Name = BDB045456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.775  -0.335  -0.475  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1        0.175   0.431   0.181  0.00  0.00    -0.285 N 
ATOM      3  H   LIG    1       -0.156   1.257   0.667  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.560  -1.344  -1.133  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.563   0.189   0.271  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.327   1.123   0.982  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        3.714   0.964   1.121  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.341  -0.154   0.562  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.585  -1.087  -0.146  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.204  -0.913  -0.294  0.00  0.00    +0.023 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.461   1.996   1.888  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        3.887   2.771   2.643  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.811   2.083   1.693  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.275   1.665   0.900  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.271   2.869   2.136  0.00  0.00    +0.145 HD
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1       -2.167   0.270  -0.344  0.00  0.00    +0.113 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -3.393  -1.883   0.217  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1       -3.354  -0.649  -0.707  0.00  0.00    +0.070 C 
ATOM     19  C   LIG    1       -3.334  -1.135  -2.167  0.00  0.00    +0.023 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -4.619   0.176  -0.437  0.00  0.00    +0.311 C 
ATOM     21  O   LIG    1       -5.289   0.093   0.582  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.919   1.089  -1.389  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -4.331   1.108  -2.165  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6