REMARK  Name = BDB001415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.327   0.896  -0.270  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        3.288   1.114  -1.182  0.00  0.00    +0.061 A 
ATOM      3 BR   LIG    1        3.598   1.899  -2.883  0.00  0.00    -0.046 Br
ATOM      4  C   LIG    1        1.972   0.772  -0.851  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.673   0.217   0.400  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1        2.706   0.050   1.331  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        4.022   0.394   1.001  0.00  0.00    +0.061 A 
ATOM      8 BR   LIG    1        5.354   0.183   2.339  0.00  0.00    -0.046 Br
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        0.274  -0.103   0.715  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -0.099  -1.171   1.437  0.00  0.00    +0.052 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.506  -1.492   1.795  0.00  0.00    +0.186 C 
ATOM     12  O   LIG    1       -1.737  -2.095   2.839  0.00  0.00    -0.287 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -2.623  -1.092   0.907  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -3.808  -0.635   1.497  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.900  -0.254   0.703  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -4.802  -0.350  -0.706  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1       -5.896   0.033  -1.497  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -7.071   0.504  -0.910  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -7.168   0.597   0.475  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -3.616  -0.834  -1.282  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -6.090   0.220   1.277  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.534  -1.210  -0.483  0.00  0.00    +0.012 A 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   5   9
BRANCH   1  23
ATOM     23  O   LIG    1        5.611   1.259  -0.585  0.00  0.00    -0.479 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.324   0.162  -1.162  0.00  0.00    +0.349 C 
BRANCH  24  26
ATOM     25  O   LIG    1        8.419   0.151  -2.411  0.00  0.00    -0.247 OA
ATOM     26  C   LIG    1        7.761   0.542  -1.458  0.00  0.00    +0.343 C 
BRANCH  26  27
ATOM     27  O   LIG    1        8.328   1.329  -0.522  0.00  0.00    -0.478 OA
ATOM     28  H   LIG    1        9.240   1.481  -0.846  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7