REMARK  Name = BDB045818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.666  -1.067   2.208  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -3.053   0.273   2.120  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.115   1.259   1.808  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.777   0.927   1.580  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.387  -0.409   1.663  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.326  -1.400   1.974  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.683  -2.143   2.521  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.357  -2.699   1.255  0.00  0.00    +0.231 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.062  -4.015   1.609  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1       -4.801  -4.760   2.541  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.029  -4.368   0.735  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1       -6.387  -5.203   1.101  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1       -5.282  -1.713   0.777  0.00  0.00    -0.362 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -6.774  -1.080  -0.963  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -5.404  -1.668  -0.648  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -4.303  -0.794  -1.242  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        0.025   1.992   1.279  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.425   1.767   1.104  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.739   1.394  -0.341  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.182   1.132  -0.536  0.00  0.00    +0.175 A 
ATOM     21  N   LIG    1        4.062   2.107  -0.924  0.00  0.00    -0.192 NA
ATOM     22  C   LIG    1        5.204   1.454  -0.968  0.00  0.00    +0.258 A 
ATOM     23  O   LIG    1        5.076   0.136  -0.621  0.00  0.00    -0.333 OA
ATOM     24  N   LIG    1        3.726  -0.074  -0.330  0.00  0.00    -0.061 NA
BRANCH  22  25
ATOM     25  C   LIG    1        6.538   1.927  -1.319  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        7.658   1.077  -1.308  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        8.924   1.563  -1.650  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        9.075   2.897  -2.004  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       10.288   3.360  -2.331  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        7.985   3.758  -2.023  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        6.720   3.273  -1.681  0.00  0.00    +0.016 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 11