REMARK  Name = BDB064503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.340  -2.186   1.289  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.671  -0.849   1.425  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -3.317   0.357   1.106  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.689   1.589   1.353  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.378   2.905   1.138  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.354   1.598   1.791  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.664   0.405   2.034  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -1.336  -0.810   1.857  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -4.604   0.331   0.633  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.733   0.321  -0.801  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.539  -0.939  -1.171  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.627   1.520  -1.173  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.458   0.400  -1.685  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -2.948   1.413  -2.144  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -2.879  -0.797  -1.925  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -2.057  -0.567  -2.408  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        0.776   0.424   2.500  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.700  -0.191   1.533  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.039  -0.357   2.147  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        4.075  -0.958   1.169  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        4.180  -0.117  -0.043  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        2.865   0.063  -0.695  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        1.836   0.635   0.310  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.176  -0.563  -0.933  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        5.803  -1.742  -0.711  0.00  0.00    -0.237 NA
ATOM     26  C   LIG    1        6.769  -2.129  -1.580  0.00  0.00    +0.151 A 
ATOM     27  C   LIG    1        7.159  -1.383  -2.673  0.00  0.00    +0.142 A 
ATOM     28  F   LIG    1        8.122  -1.818  -3.494  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        6.540  -0.170  -2.899  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        5.542   0.246  -2.017  0.00  0.00    +0.046 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7