REMARK  Name = BDB003824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.701  -0.939   0.197  0.00  0.00    +0.404 C 
ATOM      2  N   LIG    1       -1.342  -0.759   0.361  0.00  0.00    -0.257 N 
ATOM      3  C   LIG    1       -0.604  -1.783   1.086  0.00  0.00    +0.207 C 
ATOM      4  C   LIG    1        0.929  -1.664   1.114  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1        1.599  -2.462   1.774  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        1.521  -0.645   0.376  0.00  0.00    -0.287 N 
ATOM      7  C   LIG    1        0.713   0.307  -0.389  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.675   0.523   0.204  0.00  0.00    +0.130 C 
ATOM      9  O   LIG    1       -3.282  -1.972   0.501  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.986  -0.468   0.441  0.00  0.00    +0.162 C 
ATOM     11  C   LIG    1        3.329   0.664   1.431  0.00  0.00    +0.240 C 
ATOM     12  O   LIG    1        2.508   1.467   1.872  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1        4.633   0.693   1.860  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        4.676   1.181   2.751  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.610   1.285   1.112  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        6.389   2.064   1.665  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.657   1.085  -0.385  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1        5.137  -0.248  -0.900  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        3.612  -0.288  -0.942  0.00  0.00    +0.032 C 
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  O   LIG    1       -3.302   0.154  -0.337  0.00  0.00    -0.445 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -4.997   1.569  -1.181  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.731   0.177  -0.588  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1       -5.132  -0.880  -1.623  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -5.528   0.039   0.713  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 3