REMARK  Name = BDB041969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.106  -0.617   0.547  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.119  -0.070   0.071  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -2.326  -0.569   0.619  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -3.571  -0.068   0.196  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -3.647   0.911  -0.791  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.481   1.392  -1.371  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.251  -1.585   1.573  0.00  0.00    +0.119 A 
ATOM      8  N   LIG    1       -1.105  -2.148   2.011  0.00  0.00    -0.261 NA
ATOM      9  C   LIG    1       -1.239   0.904  -0.953  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        0.036  -1.649   1.490  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.115   1.020  -0.876  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        3.974   0.662  -0.617  0.00  0.00    +0.254 A 
ATOM     13  N   LIG    1        2.981   1.525  -0.266  0.00  0.00    -0.275 N 
ATOM     14  H   LIG    1        3.235   2.497  -0.172  0.00  0.00    +0.173 HD
ATOM     15  C   LIG    1        1.729   1.185   0.192  0.00  0.00    +0.334 A 
ATOM     16  O   LIG    1        1.018   2.067   0.671  0.00  0.00    -0.246 OA
ATOM     17  N   LIG    1        1.401  -0.179   0.099  0.00  0.00    -0.267 N 
ATOM     18  C   LIG    1        2.357  -1.103  -0.300  0.00  0.00    +0.101 A 
ATOM     19  C   LIG    1        3.595  -0.756  -0.655  0.00  0.00    +0.088 A 
ENDBRANCH   1  17
TORSDOF 1