REMARK  Name = BDB055886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.935   0.576  -0.902  0.00  0.00    +0.209 C 
ATOM      2  C   LIG    1        0.326   0.986  -2.270  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        0.963   1.689  -3.056  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.932   0.478  -2.578  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -1.565   0.871  -3.826  0.00  0.00    +0.133 C 
ATOM      6  C   LIG    1       -1.777  -0.129  -1.536  0.00  0.00    +0.139 C 
ATOM      7  C   LIG    1       -0.906  -0.875  -0.485  0.00  0.00    +0.174 C 
ATOM      8  O   LIG    1        0.060   0.020   0.080  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.765   0.877  -0.945  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -4.139   0.577  -0.949  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -5.069   1.466  -0.405  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -4.634   2.667   0.149  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.890   3.870   0.888  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -3.280   2.985   0.163  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.350   2.094  -0.381  0.00  0.00    +0.006 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -1.708  -1.557   0.611  0.00  0.00    -0.017 A 
ATOM     17  C   LIG    1       -2.302  -2.806   0.365  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -3.065  -3.438   1.350  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -3.243  -2.824   2.588  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1       -4.280  -3.677   3.918  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -2.663  -1.586   2.850  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -1.898  -0.957   1.866  0.00  0.00    +0.007 A 
ENDBRANCH   7  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.139  -0.353  -1.158  0.00  0.00    +0.076 C 
BRANCH  23  26
ATOM     24  C   LIG    1        5.139   0.360   1.100  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.252   0.386   0.019  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        3.094  -0.405   0.014  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1        2.829  -1.222   1.118  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.709  -1.252   2.199  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.863  -0.464   2.191  0.00  0.00    +0.045 A 
BRANCH  24  31
ATOM     30  C   LIG    1        7.155   1.196   2.042  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.226   1.181   0.966  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 5