REMARK  Name = BDB040642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.827   0.572   0.321  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.709   0.986  -0.353  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        1.623   1.769  -1.280  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.572   0.305   0.262  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        1.066  -0.516   1.252  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        0.234  -1.298   2.016  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.139  -1.220   1.743  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.681  -0.389   0.719  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -0.780   0.393  -0.022  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        2.519  -0.365   1.270  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        3.263  -0.993   1.999  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        8.252   0.426  -0.515  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        7.043   0.578  -0.367  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.143  -0.217  -1.032  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.538  -0.962  -1.590  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.770  -0.212  -0.924  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.096  -1.051  -1.520  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        4.174   0.930  -0.094  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        5.110   1.288   1.057  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        6.468   1.679   0.494  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -3.058  -0.349   0.516  0.00  0.00    -0.324 N 
ATOM     22  C   LIG    1       -3.702   0.588  -0.440  0.00  0.00    +0.087 C 
ATOM     23  C   LIG    1       -3.922  -0.137  -1.800  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -4.807  -1.325  -1.672  0.00  0.00    -0.310 NA
ATOM     25  H   LIG    1       -5.675  -1.150  -2.177  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -5.112  -1.544  -0.234  0.00  0.00    +0.071 C 
ATOM     27  C   LIG    1       -5.927  -0.341   0.274  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1       -5.085   0.937   0.150  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1       -3.797  -1.641   0.602  0.00  0.00    +0.124 C 
ENDBRANCH   8  21
TORSDOF 2