REMARK  Name = BDB031248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.199   1.538   2.603  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1        5.407   1.065   1.809  0.00  0.00    +0.326 A 
ATOM      3  N   LIG    1        4.101   1.501   1.569  0.00  0.00    -0.291 N 
ATOM      4  H   LIG    1        3.646   2.271   2.025  0.00  0.00    +0.172 HD
ATOM      5  C   LIG    1        3.530   0.701   0.590  0.00  0.00    +0.160 A 
ATOM      6  C   LIG    1        4.479  -0.239   0.216  0.00  0.00    +0.086 A 
ATOM      7  C   LIG    1        4.191  -1.165  -0.745  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        2.907  -1.086  -1.293  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.977  -0.106  -0.858  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        2.298   0.808   0.092  0.00  0.00    -0.213 NA
ATOM     11  N   LIG    1        5.634  -0.026   0.957  0.00  0.00    -0.305 N 
ATOM     12  H   LIG    1        6.500  -0.538   0.916  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  N   LIG    1        0.702  -0.073  -1.454  0.00  0.00    -0.312 N 
ATOM     14  C   LIG    1       -0.030  -1.361  -1.323  0.00  0.00    +0.125 C 
ATOM     15  C   LIG    1       -1.559  -1.169  -1.201  0.00  0.00    +0.125 C 
ATOM     16  N   LIG    1       -1.877  -0.305  -0.049  0.00  0.00    -0.312 N 
ATOM     17  C   LIG    1       -1.015   0.889   0.114  0.00  0.00    +0.125 C 
ATOM     18  C   LIG    1       -0.108   1.120  -1.115  0.00  0.00    +0.125 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.232  -0.169   0.243  0.00  0.00    +0.121 A 
ATOM     20  N   LIG    1       -4.142  -0.734  -0.582  0.00  0.00    -0.240 NA
ATOM     21  C   LIG    1       -5.455  -0.611  -0.281  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1       -5.934   0.052   0.831  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.006   0.616   1.691  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.648   0.500   1.397  0.00  0.00    +0.043 A 
ENDBRANCH  16  19
ENDBRANCH   9  13
TORSDOF 2