REMARK  Name = BDB031617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.777  -0.244   0.751  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -0.593  -0.516   1.712  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.286   0.011  -0.087  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.125   0.057  -1.304  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -6.212  -0.422   0.404  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.992  -0.509   0.298  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.265  -1.295   1.156  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.798  -1.703   1.913  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.909  -1.225   1.359  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.394  -1.662   2.387  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.092  -0.589   0.230  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.844   0.629  -0.298  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -4.219   0.203  -0.787  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.557   0.199   0.567  0.00  0.00    +0.128 A 
ATOM     15  N   LIG    1        2.791   0.288  -0.064  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        3.743   0.475   0.940  0.00  0.00    +0.138 A 
ATOM     17  C   LIG    1        5.106   0.591   0.544  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        5.436   0.518  -0.759  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.426   0.321  -1.783  0.00  0.00    +0.018 A 
ATOM     20  N   LIG    1        3.195   0.514   2.132  0.00  0.00    -0.235 NA
ATOM     21  C   LIG    1        3.138   0.211  -1.417  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        1.855   0.352   1.912  0.00  0.00    +0.144 A 
ENDBRANCH   3  14
TORSDOF 2