REMARK  Name = BDB054354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.055   1.200  -1.783  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        3.291   0.269  -0.656  0.00  0.00    +0.228 A 
ATOM      3  O   LIG    1        3.067  -0.869  -1.389  0.00  0.00    -0.440 OA
ATOM      4  C   LIG    1        1.821  -0.693  -1.919  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        1.298  -1.774  -2.772  0.00  0.00    +0.088 C 
ATOM      6  C   LIG    1        1.350   0.531  -1.495  0.00  0.00    +0.083 A 
ATOM      7  N   LIG    1        2.291   1.131  -0.690  0.00  0.00    -0.214 NA
BRANCH   2  13
ATOM      8  C   LIG    1        8.330   0.771   2.162  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        7.033   0.607   1.418  0.00  0.00    -0.047 A 
ATOM     10  C   LIG    1        6.760  -0.549   0.662  0.00  0.00    -0.047 A 
ATOM     11  C   LIG    1        7.754  -1.674   0.562  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        5.531  -0.654  -0.017  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.570   0.366   0.043  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        4.859   1.507   0.800  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.073   1.627   1.479  0.00  0.00    +0.004 A 
ENDBRANCH   2  13
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.988   0.916  -0.699  0.00  0.00    +0.006 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.320   1.595  -1.019  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.358   1.478   0.104  0.00  0.00    +0.008 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.718   0.049   0.557  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.309  -0.823  -0.550  0.00  0.00    +0.169 C 
ATOM     21  O   LIG    1       -5.679  -0.499  -0.739  0.00  0.00    -0.340 OA
ATOM     22  C   LIG    1       -6.469  -0.779   0.426  0.00  0.00    +0.267 C 
ATOM     23  C   LIG    1       -7.179  -2.112   0.186  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1       -5.673  -0.927   1.610  0.00  0.00    -0.340 OA
ATOM     25  C   LIG    1       -4.718   0.124   1.718  0.00  0.00    +0.169 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.566   0.320   0.600  0.00  0.00    +0.365 C 
ATOM     27  O   LIG    1       -7.776   1.281  -0.128  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -8.326   0.158   1.709  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1       -8.935   0.925   1.687  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  22  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8