REMARK  Name = BDB011127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.110  -1.188   0.610  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.220  -1.236   1.133  0.00  0.00    -0.492 OA
BRANCH   2   7
ATOM      3  C   LIG    1       -4.607  -0.139   0.324  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -4.422   0.506  -0.922  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -3.134   0.544  -1.489  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.034  -0.021  -0.842  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.203  -0.644   0.388  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -3.480  -0.701   0.955  0.00  0.00    +0.049 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -6.104  -0.938   2.300  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1       -5.986  -0.233   0.952  0.00  0.00    +0.032 C 
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  C   LIG    1       -5.551   1.164  -1.695  0.00  0.00    +0.046 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.423   2.683  -1.790  0.00  0.00    +0.125 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -5.679   3.344  -0.466  0.00  0.00    +0.305 C 
ATOM     14  O   LIG    1       -6.689   3.239   0.210  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.662   4.130  -0.068  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       -4.950   4.471   0.804  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        1.036  -1.875   1.610  0.00  0.00    +0.099 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.431  -1.972   1.118  0.00  0.00    +0.083 A 
ATOM     19  N   LIG    1        3.164  -0.845   0.818  0.00  0.00    -0.214 NA
ATOM     20  C   LIG    1        4.336  -1.313   0.428  0.00  0.00    +0.227 A 
ATOM     21  O   LIG    1        4.420  -2.682   0.447  0.00  0.00    -0.443 OA
ATOM     22  C   LIG    1        3.200  -3.088   0.892  0.00  0.00    +0.221 A 
BRANCH  20  23
ATOM     23  C   LIG    1        5.522  -0.582  -0.010  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        6.694  -1.238  -0.413  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        7.816  -0.511  -0.826  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        7.793   0.891  -0.843  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        6.622   1.550  -0.445  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.502   0.820  -0.032  0.00  0.00    +0.014 A 
BRANCH  26  29
ATOM     29  C   LIG    1        9.008   1.662  -1.301  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        9.261   1.490  -2.628  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       10.143   1.281  -0.652  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.904   3.007  -1.111  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  20  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11