REMARK  Name = BDB045814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.880  -1.165  -2.075  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.609  -1.664  -1.766  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.403  -2.437  -0.617  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.465  -2.718   0.240  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -2.734  -2.220  -0.067  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.944  -1.451  -1.213  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.093  -0.304  -3.300  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.761   1.177  -3.048  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.667   1.909  -4.388  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -1.618   1.409  -5.502  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -1.582   3.251  -4.257  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -1.559   3.580  -5.179  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -2.802   1.762  -2.255  0.00  0.00    -0.362 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -1.624   3.476  -0.989  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -2.390   2.158  -0.943  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -3.654   2.313  -0.106  0.00  0.00    +0.037 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -1.411  -3.448   1.394  0.00  0.00    -0.484 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.159  -4.025   1.789  0.00  0.00    +0.308 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.752  -3.073   2.485  0.00  0.00    +0.209 A 
ATOM     20  N   LIG    1        1.915  -2.609   1.914  0.00  0.00    -0.188 NA
ATOM     21  C   LIG    1        2.388  -1.813   2.850  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        1.601  -1.776   3.968  0.00  0.00    -0.333 OA
ATOM     23  N   LIG    1        0.518  -2.623   3.726  0.00  0.00    -0.057 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.597  -0.997   2.857  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        3.946  -0.191   3.952  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        5.112   0.582   3.929  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.939   0.554   2.808  0.00  0.00    +0.018 A 
ATOM     28 BR   LIG    1        7.514   1.598   2.776  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        5.612  -0.239   1.711  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        4.446  -1.010   1.738  0.00  0.00    +0.014 A 
ENDBRANCH  21  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 10