REMARK  Name = BDB009232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.889  -0.821   2.895  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.570  -0.966   1.893  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        3.194  -0.839   0.545  0.00  0.00    -0.262 N 
ATOM      4  C   LIG    1        4.293  -1.197  -0.320  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1        4.194  -0.613  -1.722  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1        3.740   0.741  -1.743  0.00  0.00    -0.488 OA
ATOM      7  C   LIG    1        2.568   0.890  -1.037  0.00  0.00    +0.142 A 
ATOM      8  C   LIG    1        1.722   1.915  -1.451  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.552   2.182  -0.738  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.226   1.435   0.404  0.00  0.00    -0.040 A 
ATOM     11  C   LIG    1        1.107   0.428   0.832  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        5.503  -0.829   0.515  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1        2.272   0.142   0.113  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        5.053  -1.285   1.905  0.00  0.00    +0.098 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1       -1.022   1.742   1.200  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.300   1.703   0.366  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -3.006   0.399   0.154  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -2.460  -0.878   0.728  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1       -3.132  -2.136   0.168  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -4.641  -1.959   0.071  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -4.996  -0.773  -0.827  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -4.142   0.437  -0.564  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -4.621   1.721  -1.133  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -5.642   1.788  -1.811  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1       -3.856   2.821  -0.858  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1       -4.168   3.709  -1.234  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1       -2.715   2.837  -0.118  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH  10  15
TORSDOF 2