REMARK  Name = BDB059077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.528   0.197   0.080  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.531  -0.724  -0.349  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        0.642   0.029  -0.383  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1        1.857  -0.408  -0.779  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1        1.939  -1.696  -1.166  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        0.836  -2.541  -1.161  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        0.317   1.304   0.070  0.00  0.00    -0.214 N 
ATOM      8  C   LIG    1       -0.418  -2.071  -0.745  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1       -1.009   1.398   0.357  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.154   2.451   0.253  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        2.528   2.424  -0.021  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.311   3.569   0.173  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        2.728   4.744   0.640  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        3.696   6.146   0.876  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        1.365   4.788   0.917  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        0.581   3.647   0.725  0.00  0.00    +0.029 A 
ENDBRANCH   7  10
BRANCH   5  17
ATOM     17  C   LIG    1        3.286  -2.212  -1.624  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        4.530  -1.881  -0.832  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        4.000  -3.283  -0.831  0.00  0.00    +0.010 C 
ENDBRANCH   5  17
BRANCH   1  20
ATOM     20  C   LIG    1       -3.018   0.001   0.248  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.817   1.209  -0.269  0.00  0.00    +0.014 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -4.796  -0.768   1.926  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -3.356  -0.321   1.718  0.00  0.00    +0.006 C 
ENDBRANCH  20  23
ENDBRANCH   1  20
BRANCH   8  24
ATOM     24  C   LIG    1       -1.551  -3.011  -0.676  0.00  0.00    +0.338 C 
ATOM     25  O   LIG    1       -2.482  -2.983   0.102  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -1.452  -3.977  -1.608  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -2.250  -4.529  -1.466  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   8  24
TORSDOF 6