REMARK  Name = BDB009945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.371  -0.756   0.928  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.005  -0.541   1.098  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1        0.639  -1.034   2.220  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1        1.954  -0.673   2.242  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1        2.160   0.012   1.133  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        0.044  -1.759   3.175  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -1.255  -1.967   2.925  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        1.000   0.071   0.378  0.00  0.00    -0.319 N 
ATOM      9  N   LIG    1       -1.970  -1.507   1.871  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.087  -0.226  -0.135  0.00  0.00    -0.324 N 
ATOM     11  H   LIG    1       -1.776   0.707  -0.378  0.00  0.00    +0.148 HD
BRANCH  10  13
ATOM     12  C   LIG    1       -4.252   0.408   0.892  0.00  0.00    +0.028 C 
ATOM     13  C   LIG    1       -3.545  -0.358  -0.223  0.00  0.00    +0.072 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.950  -1.797  -0.427  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -5.394  -2.165  -0.684  0.00  0.00    +0.005 C 
ATOM     16  C   LIG    1       -4.724  -2.612   0.583  0.00  0.00    +0.005 C 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   7  17
ATOM     17  C   LIG    1       -1.991  -2.788   3.953  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -1.518  -3.316   4.946  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.316  -2.913   3.701  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -3.639  -3.464   4.442  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   7  17
BRANCH   5  21
ATOM     21  C   LIG    1        3.469   0.648   0.760  0.00  0.00    +0.109 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.201  -0.041  -0.370  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1        4.708   0.709  -1.443  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.392   0.082  -2.485  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.587  -1.298  -2.462  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.105  -2.051  -1.394  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.422  -1.426  -0.349  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
BRANCH   8  28
ATOM     28  C   LIG    1        0.894   0.589  -0.979  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  C   LIG    1        0.812   2.098  -1.052  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        1.345   2.745  -2.180  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        1.269   4.133  -2.313  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        0.649   4.890  -1.324  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        0.554   6.599  -1.486  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        0.101   4.268  -0.205  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        0.176   2.878  -0.072  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 9