REMARK  Name = BDB033040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.004   1.381   0.143  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1        2.365   0.863  -0.319  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        3.305   1.675   0.408  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        2.736   2.220   1.549  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1        3.319   2.850   2.417  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        1.275   1.845   1.577  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -1.692   1.832   0.754  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.364   0.733   0.326  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1       -0.056   0.390   0.038  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        0.088  -0.400  -0.578  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -2.393  -0.305   0.047  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.689   0.114  -0.283  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -4.706  -0.816  -0.557  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -4.386  -2.183  -0.480  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.100  -2.608  -0.135  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.103  -1.671   0.133  0.00  0.00    +0.013 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -6.066  -0.373  -0.908  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1       -6.719  -0.867  -2.051  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -8.009  -0.446  -2.384  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -8.671   0.478  -1.579  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -8.044   0.981  -0.443  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -6.753   0.559  -0.111  0.00  0.00    +0.008 A 
ENDBRANCH  13  17
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        4.735   1.641   0.160  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.380   0.359   0.651  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.820  -0.665  -0.220  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        6.398  -1.828   0.329  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.540  -1.980   1.708  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.109  -0.974   2.563  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.536   0.185   2.040  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1        5.696  -0.549  -1.722  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        6.372   0.519  -2.226  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        6.166  -1.635  -2.398  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        4.403  -0.402  -2.128  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6