REMARK  Name = BDB047843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.239   0.397  -0.082  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1        0.881   1.528   0.270  0.00  0.00    -0.227 NA
ATOM      3  C   LIG    1        2.216   1.547   0.175  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.954   0.449  -0.271  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        4.367   0.524  -0.353  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        5.034   1.690   0.010  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.300   2.783   0.454  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.188  -0.666  -0.608  0.00  0.00    +0.226 A 
ATOM      9  C   LIG    1        2.906   2.700   0.531  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.848  -0.715  -0.523  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.383  -0.789  -0.224  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1       -1.986  -0.759  -0.321  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1       -1.234   0.381   0.025  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -1.952   1.503   0.478  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -3.346   1.485   0.579  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.061   0.340   0.228  0.00  0.00    +0.045 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -5.373  -2.057  -0.520  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -3.956  -1.974  -0.600  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  O   LIG    1        2.866  -1.787  -1.058  0.00  0.00    -0.479 OA
ATOM     20  C   LIG    1        2.009  -2.878  -1.380  0.00  0.00    +0.279 C 
ENDBRANCH   8  19
TORSDOF 3