REMARK  Name = BDB029465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.473  -0.872   1.126  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.367  -0.525   0.721  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -4.901   0.744   0.947  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.502   1.275   1.565  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.571   1.059   1.066  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -3.197   1.912   1.864  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.632   0.280   0.161  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.160   0.522   0.524  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.441   0.367  -0.734  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        0.928   0.287  -0.921  0.00  0.00    +0.223 C 
ATOM     11  O   LIG    1        1.403   0.207  -2.055  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -1.339   0.428  -1.871  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -2.686   0.824  -1.280  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.996  -1.210   0.265  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.465  -1.452  -0.059  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        1.790   0.264   0.341  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        3.247   0.564   0.115  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        4.015  -0.606   0.158  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        5.385  -0.570  -0.039  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.989   0.668  -0.268  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.221   1.843  -0.307  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.149  -1.805   0.373  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        3.838   1.795  -0.119  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        1.868  -1.162   0.929  0.00  0.00    +0.022 C 
ENDBRANCH  10  16
TORSDOF 1