REMARK  Name = BDB054337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.688  -1.885   0.011  0.00  0.00    +0.006 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.276  -1.262  -1.258  0.00  0.00    +0.059 C 
BRANCH   2   5
ATOM      3  C   LIG    1        1.967   2.037  -1.540  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1        2.764   0.864  -1.144  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        2.521  -0.487  -1.015  0.00  0.00    +0.083 A 
ATOM      6  N   LIG    1        3.671  -1.120  -0.598  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1        4.557  -0.148  -0.479  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1        4.065   1.092  -0.797  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1        5.955  -0.219  -0.063  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        6.769   0.921   0.008  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        8.104   0.822   0.411  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        8.642  -0.418   0.748  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        7.847  -1.560   0.683  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.513  -1.460   0.281  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        0.208  -0.885   1.070  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.877   0.100   0.620  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.168  -0.587   0.159  0.00  0.00    +0.008 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.286   0.411  -0.199  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.900   1.106   1.021  0.00  0.00    +0.169 C 
ATOM     20  O   LIG    1       -5.080   0.426   1.432  0.00  0.00    -0.340 OA
ATOM     21  C   LIG    1       -6.107   0.461   0.446  0.00  0.00    +0.267 C 
ATOM     22  C   LIG    1       -6.943   1.730   0.616  0.00  0.00    +0.087 C 
ATOM     23  O   LIG    1       -5.598   0.452  -0.907  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -4.389  -0.305  -0.978  0.00  0.00    +0.169 C 
BRANCH  21  25
ATOM     25  C   LIG    1       -7.095  -0.743   0.582  0.00  0.00    +0.365 C 
ATOM     26  O   LIG    1       -7.441  -1.280   1.624  0.00  0.00    -0.245 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -7.569  -1.147  -0.634  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1       -7.126  -0.618  -1.337  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9