REMARK  Name = BDB040394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.799   1.831   1.461  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.566   1.192   1.531  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1        0.807   0.089   2.361  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.058  -0.542   2.367  0.00  0.00    +0.045 A 
ATOM      5 CL   LIG    1        2.227  -1.930   3.384  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.106  -0.077   1.554  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.848   1.027   0.719  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.599   1.649   0.707  0.00  0.00    +0.005 A 
BRANCH   6   9
ATOM      9  C   LIG    1        4.466  -0.759   1.500  0.00  0.00    +0.107 C 
ATOM     10  C   LIG    1        5.634   0.231   1.513  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1        5.733   1.134   2.341  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1        6.628   0.017   0.591  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1        7.398   0.672   0.645  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        6.964  -1.197   0.056  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1        8.084  -1.399  -0.404  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        5.925  -2.282   0.164  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1        4.534  -1.685   0.283  0.00  0.00    +0.027 C 
ENDBRANCH   6   9
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1       -1.689   1.289  -0.778  0.00  0.00    +0.223 C 
ATOM     19  N   LIG    1       -1.664   1.075   0.585  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.151   0.280   0.966  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1       -1.094   2.225  -1.306  0.00  0.00    -0.275 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -1.731  -1.105  -1.445  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -2.491   0.236  -1.584  0.00  0.00    +0.066 C 
ATOM     24  C   LIG    1       -2.468   0.613  -3.084  0.00  0.00    +0.025 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -3.958   0.184  -1.112  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -4.573  -0.997  -0.662  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -5.914  -1.003  -0.259  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -6.671   0.171  -0.305  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1       -6.075   1.360  -0.741  0.00  0.00    +0.019 A 
ATOM     30  C   LIG    1       -4.735   1.363  -1.139  0.00  0.00    +0.006 A 
BRANCH  28  31
ATOM     31  C   LIG    1       -8.045   0.158   0.100  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       -9.155   0.139   0.433  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH   1  19
TORSDOF 6