REMARK  Name = BDB054333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.116   2.033   0.546  0.00  0.00    +0.244 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.278   2.433   1.058  0.00  0.00    +0.122 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -2.407   1.812   0.348  0.00  0.00    -0.309 NA
ATOM      4  H   LIG    1       -3.278   2.179   0.733  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.429   0.354   0.494  0.00  0.00    +0.116 C 
BRANCH   5   9
ATOM      6  C   LIG    1       -6.157  -1.236  -0.995  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -5.198  -0.755  -1.885  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -3.993  -0.243  -1.402  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.733  -0.210  -0.024  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -4.709  -0.690   0.862  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -5.914  -1.202   0.377  0.00  0.00    +0.000 A 
ENDBRANCH   5   9
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  O   LIG    1        0.501   0.794   1.148  0.00  0.00    -0.491 OA
BRANCH  12  13
ATOM     13  C   LIG    1        1.710   0.270   0.784  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        2.626   0.847  -0.098  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        3.845   0.206  -0.393  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        4.143  -1.036   0.213  0.00  0.00    -0.018 A 
ATOM     17  C   LIG    1        5.359  -1.673  -0.083  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        6.271  -1.093  -0.966  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.979   0.129  -1.563  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.216  -1.605   1.097  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.775   0.775  -1.279  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        2.013  -0.955   1.378  0.00  0.00    +0.046 A 
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6