REMARK  Name = BDB045615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.813  -1.307   2.051  0.00  0.00    +0.098 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.004  -1.343   1.102  0.00  0.00    +0.238 C 
ATOM      3  N   LIG    1        4.076  -0.544   1.467  0.00  0.00    -0.183 N 
ATOM      4  O   LIG    1        3.036  -2.067   0.108  0.00  0.00    -0.274 OA
BRANCH   3   5
ATOM      5  O   LIG    1        3.809   0.520   2.355  0.00  0.00    -0.292 OA
ATOM      6  H   LIG    1        4.262   0.217   3.165  0.00  0.00    +0.242 HD
ENDBRANCH   3   5
BRANCH   3   7
ATOM      7  C   LIG    1        5.114  -0.195   0.503  0.00  0.00    +0.151 C 
BRANCH   7   8
ATOM      8  C   LIG    1        4.619   0.774  -0.565  0.00  0.00    +0.142 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.733   1.117  -1.507  0.00  0.00    +0.306 C 
ATOM     10  O   LIG    1        6.905   0.795  -1.412  0.00  0.00    -0.251 OA
BRANCH   9  11
ATOM     11  O   LIG    1        5.312   1.879  -2.534  0.00  0.00    -0.481 OA
ATOM     12  H   LIG    1        6.117   2.033  -3.071  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1        0.631  -2.164   1.593  0.00  0.00    +0.010 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -0.107  -1.652   0.346  0.00  0.00    +0.016 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.793  -0.294   0.560  0.00  0.00    +0.084 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.576   0.235  -0.569  0.00  0.00    -0.305 NA
ATOM     17  C   LIG    1       -0.724   0.569  -1.712  0.00  0.00    +0.104 C 
BRANCH  16  18
ATOM     18  C   LIG    1       -2.698  -0.612  -0.997  0.00  0.00    +0.084 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.761  -0.872   0.082  0.00  0.00    +0.015 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.374   0.383   0.715  0.00  0.00    +0.001 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -5.793   2.441   0.406  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -5.105   1.276  -0.288  0.00  0.00    -0.003 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 14