REMARK  Name = BDB031613
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.054   0.399  -0.267  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.956  -0.007  -1.198  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.147   0.600   0.385  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.228   1.276   1.407  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.285  -1.685   0.032  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.449  -0.791   0.117  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.321   0.150  -0.874  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.926   0.014  -1.672  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.254   0.989  -1.078  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.056   1.481  -2.189  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.257   1.138   0.075  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.889   0.688   1.392  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.466  -0.713   1.258  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.261  -0.056  -0.275  0.00  0.00    +0.201 A 
ATOM     15  N   LIG    1        2.582  -0.060   0.137  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        3.282  -0.809  -0.804  0.00  0.00    +0.066 A 
ATOM     17  C   LIG    1        4.682  -0.979  -0.625  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.282  -0.415   0.441  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.533   0.364   1.413  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        2.351  -1.213  -1.729  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        3.209   0.523   1.242  0.00  0.00    +0.093 A 
ATOM     22  N   LIG    1        1.105  -0.748  -1.400  0.00  0.00    -0.231 NA
ENDBRANCH   3  14
TORSDOF 2