REMARK  Name = BDB046138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769  -1.774   1.347  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.892  -0.985   0.648  0.00  0.00    +0.021 C 
ATOM      3  C   LIG    1       -2.807  -0.277   0.036  0.00  0.00    -0.003 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -4.115  -0.928  -0.251  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -4.752  -1.742   0.700  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -5.982  -2.343   0.418  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -6.585  -2.136  -0.821  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1       -8.249  -2.947  -1.203  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -5.968  -1.337  -1.779  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -4.738  -0.737  -1.495  0.00  0.00    +0.009 A 
ENDBRANCH   3   4
BRANCH   3  11
ATOM     11  C   LIG    1       -2.463   1.126  -0.336  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -3.432   2.138  -0.241  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.127   3.458  -0.584  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -1.845   3.780  -1.023  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -1.434   5.566  -1.485  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -0.867   2.795  -1.122  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -1.175   1.474  -0.780  0.00  0.00    +0.009 A 
ENDBRANCH   3  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  O   LIG    1        0.238  -2.421   1.931  0.00  0.00    -0.472 OA
BRANCH  18  22
ATOM     19  C   LIG    1        3.919  -0.722   1.007  0.00  0.00    -0.036 A 
ATOM     20  C   LIG    1        2.958   0.052   1.658  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        1.718  -0.503   1.978  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        1.439  -1.829   1.629  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1        2.409  -2.611   1.000  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.648  -2.052   0.681  0.00  0.00    +0.008 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.184  -0.160   0.667  0.00  0.00    +0.059 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.506   0.369   0.269  0.00  0.00    +0.244 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.952  -0.230  -1.107  0.00  0.00    +0.385 C 
ATOM     28  O   LIG    1        7.400  -1.416  -1.048  0.00  0.00    -0.243 OA
ATOM     29  O   LIG    1        6.842   0.524  -2.118  0.00  0.00    -0.243 OA
ENDBRANCH  26  27
BRANCH  26  30
ATOM     30  O   LIG    1        6.409   1.803   0.219  0.00  0.00    -0.351 OA
BRANCH  30  32
ATOM     31  C   LIG    1        9.000   3.038   0.360  0.00  0.00    +0.035 C 
ATOM     32  C   LIG    1        7.620   2.352   0.243  0.00  0.00    +0.142 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  25  26
ENDBRANCH  19  25
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 10