REMARK  Name = BDB009769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.271   1.293  -0.228  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.558   0.059  -0.117  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.228  -1.277   0.066  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.702  -1.130  -0.307  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        2.357   0.042   0.435  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        3.833   0.121  -0.027  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.651   1.326  -0.005  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        2.302   2.367  -0.121  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.631   0.159   0.975  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -1.432   0.881   2.163  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.422   0.927   3.148  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.621   0.247   2.959  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -4.839   0.306   4.172  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -3.841  -0.477   1.791  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.852  -0.520   0.805  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -0.396  -2.444  -0.696  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -0.867  -3.562   0.012  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -1.451  -4.633  -0.665  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -2.035  -5.989   0.219  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -1.569  -4.612  -2.052  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -1.098  -3.513  -2.768  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -0.515  -2.437  -2.096  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -0.269   2.443  -1.023  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.198   4.107  -1.365  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.725   2.828  -0.687  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -0.064   2.158  -2.534  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1        0.574   3.327  -3.274  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        2.302  -0.015   1.978  0.00  0.00    +0.093 C 
BRANCH  28  29
ATOM     29  C   LIG    1        2.923  -1.229   2.564  0.00  0.00    +0.150 A 
ATOM     30  N   LIG    1        4.153  -1.250   3.159  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1        4.827  -0.507   3.300  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1        4.431  -2.487   3.585  0.00  0.00    -0.047 NA
ATOM     33  N   LIG    1        3.369  -3.212   3.262  0.00  0.00    -0.023 NA
ATOM     34  N   LIG    1        2.421  -2.443   2.632  0.00  0.00    -0.114 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7