REMARK  Name = BDB031611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.017   0.581  -0.237  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.743   0.552  -1.220  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.051   0.457   0.628  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1       -0.027   0.699   1.829  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.287   0.025  -0.040  0.00  0.00    +0.154 A 
ATOM      6  C   LIG    1        2.557  -0.227   0.558  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        3.384  -0.600  -0.496  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        4.731  -0.936  -0.328  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        5.244  -0.884   0.972  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        4.441  -0.512   2.050  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1        2.594  -0.550  -1.610  0.00  0.00    -0.276 N 
ATOM     12  H   LIG    1        2.866  -0.758  -2.564  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1        3.094  -0.180   1.859  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        1.323  -0.177  -1.377  0.00  0.00    -0.168 NA
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -5.239  -1.214  -1.337  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -4.431  -0.450  -0.814  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.141   0.763  -1.383  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.602   0.940  -2.266  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.043   1.547  -1.125  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.654   2.362  -1.961  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.253   1.236   0.150  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.101   0.412   1.118  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.656  -0.823   0.426  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2