REMARK  Name = BDB017325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.439   2.482   0.686  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1       -0.078   3.151   0.011  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1        5.084  -0.617  -0.863  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1        4.114   0.298  -0.546  0.00  0.00    -0.267 N 
ATOM      5  C   LIG    1        3.199   0.820  -1.539  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1        2.141   1.558  -0.737  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        2.847   1.961   0.561  0.00  0.00    +0.013 C 
ATOM      8  C   LIG    1        1.759   2.003   1.638  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1        0.489   1.397   1.008  0.00  0.00    +0.072 C 
ATOM     10  C   LIG    1        0.982   0.685  -0.256  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        3.886   0.857   0.772  0.00  0.00    +0.115 C 
ATOM     12  O   LIG    1        5.261  -1.059  -1.992  0.00  0.00    -0.226 OA
BRANCH   3  13
ATOM     13  O   LIG    1        5.815  -0.975   0.227  0.00  0.00    -0.451 OA
BRANCH  13  15
ATOM     14  C   LIG    1        6.305  -3.342   0.092  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        6.857  -1.932  -0.005  0.00  0.00    +0.230 C 
ENDBRANCH  13  15
ENDBRANCH   3  13
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -1.763   2.129   0.361  0.00  0.00    +0.143 A 
ATOM     17  C   LIG    1       -2.649   3.106  -0.076  0.00  0.00    +0.099 A 
ATOM     18 CL   LIG    1       -2.195   4.744  -0.336  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -3.934   2.690  -0.323  0.00  0.00    +0.137 A 
ATOM     20  N   LIG    1       -4.353   1.421  -0.155  0.00  0.00    -0.221 NA
ATOM     21  C   LIG    1       -3.448   0.535   0.285  0.00  0.00    +0.221 A 
ATOM     22  N   LIG    1       -2.168   0.855   0.549  0.00  0.00    -0.198 NA
BRANCH  21  23
ATOM     23  N   LIG    1       -3.775  -0.805   0.500  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1       -2.938  -1.266   0.837  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.927  -1.486   0.349  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -6.150  -1.038  -0.084  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1       -6.980  -2.120  -0.056  0.00  0.00    -0.273 N 
ATOM     28  C   LIG    1       -8.375  -2.151  -0.422  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -6.380  -3.250   0.367  0.00  0.00    -0.178 NA
ATOM     30  C   LIG    1       -5.126  -2.857   0.613  0.00  0.00    +0.157 A 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   1  16
TORSDOF 6