REMARK  Name = BDB031612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.831   0.197   0.701  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.590   0.178   1.693  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.229   0.166  -0.179  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.072   0.346  -1.384  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -6.281   0.202   0.498  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -5.067   0.351   0.401  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.351   0.976   1.389  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.879   1.214   2.218  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.986   0.953   1.548  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.473   1.244   2.627  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.173   0.577   0.304  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.887  -0.549  -0.436  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.290  -0.101  -0.814  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.502  -0.085   0.471  0.00  0.00    +0.201 A 
ATOM     15  N   LIG    1        2.739  -0.183  -0.144  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        3.661  -0.424   0.870  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        5.030  -0.570   0.515  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.389  -0.471  -0.779  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.410  -0.218  -1.823  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        2.936  -0.459   2.035  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        3.116  -0.081  -1.486  0.00  0.00    +0.093 A 
ATOM     22  N   LIG    1        1.605  -0.250   1.786  0.00  0.00    -0.231 NA
ENDBRANCH   3  14
TORSDOF 2