REMARK  Name = BDB046975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.577  -0.244   0.853  0.00  0.00    +0.050 A 
ATOM      2  N   LIG    1       -1.733   0.034   0.144  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1       -1.897   1.179  -0.739  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1       -3.291   1.778  -0.678  0.00  0.00    +0.126 C 
ATOM      5  N   LIG    1       -4.254   0.993  -1.412  0.00  0.00    -0.310 N 
ATOM      6  H   LIG    1       -4.851   1.459  -2.086  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.683  -0.273  -1.121  0.00  0.00    +0.246 C 
ATOM      8  C   LIG    1       -4.026  -1.093  -0.073  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -4.765  -2.178   0.443  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.244  -3.025   1.414  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.952  -2.822   1.895  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -2.179  -1.758   1.391  0.00  0.00    +0.001 A 
ATOM     13  O   LIG    1       -5.649  -0.716  -1.740  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -2.717  -0.901   0.421  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -0.855  -1.328   1.659  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  18
ATOM     16  C   LIG    1        2.614   1.208  -0.555  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1        1.408   0.497  -0.445  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        0.674   0.505   0.749  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1        1.157   1.223   1.847  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.350   1.939   1.748  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.072   1.934   0.554  0.00  0.00    +0.005 A 
BRANCH  16  22
ATOM     22  C   LIG    1        3.404   1.190  -1.847  0.00  0.00    +0.119 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.816  -1.214  -2.049  0.00  0.00    +0.104 C 
ATOM     24  N   LIG    1        4.401   0.122  -2.007  0.00  0.00    -0.304 NA
ATOM     25  C   LIG    1        5.486   0.192  -1.035  0.00  0.00    +0.104 C 
ENDBRANCH  22  24
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3