REMARK  Name = BDB046133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.264   0.005   1.681  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.340  -1.576   0.273  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.970  -1.636   1.621  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.754  -1.090   2.041  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.892  -0.475   1.131  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.248  -0.428  -0.215  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.465  -0.973  -0.640  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.663  -2.145  -0.193  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.657  -1.035  -0.583  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        7.079  -1.541  -0.280  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        7.899  -1.886  -1.117  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        7.372  -1.548   1.047  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        6.658  -1.218   1.625  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.433  -0.718  -1.959  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.207   1.687  -2.118  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        6.079   0.475  -2.398  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.094   0.870   0.900  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.154   0.059   0.206  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -3.475   0.329   0.109  0.00  0.00    -0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.015   1.590   0.668  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -4.850   1.548   1.793  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -5.373   2.729   2.323  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -5.066   3.945   1.724  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -5.569   5.077   2.232  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -4.246   4.005   0.602  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -3.721   2.826   0.070  0.00  0.00    +0.011 A 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     27  C   LIG    1       -4.336  -0.669  -0.580  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -5.216  -0.256  -1.590  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.046  -1.179  -2.232  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.010  -2.523  -1.866  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.149  -2.945  -0.856  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.319  -2.023  -0.214  0.00  0.00    +0.008 A 
ENDBRANCH  19  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11