REMARK  Name = BDB051243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.738   0.839  -0.352  0.00  0.00    -0.025 C 
ATOM      2  C   LIG    1        0.242   1.575  -0.903  0.00  0.00    -0.031 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.192   2.511  -0.208  0.00  0.00    +0.027 C 
BRANCH   3   4
ATOM      4  C   LIG    1        2.646   2.030  -0.265  0.00  0.00    +0.004 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.885   0.766   0.570  0.00  0.00    +0.000 C 
BRANCH   5   6
ATOM      6  C   LIG    1        4.362   0.366   0.656  0.00  0.00    +0.000 C 
BRANCH   6   7
ATOM      7  C   LIG    1        4.932  -0.128  -0.676  0.00  0.00    +0.001 C 
BRANCH   7   8
ATOM      8  C   LIG    1        6.420  -0.500  -0.607  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1        6.759  -1.674   0.312  0.00  0.00    +0.120 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.219  -2.998  -0.179  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1        5.748  -3.207  -1.285  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.338  -3.977   0.749  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        6.752  -3.681   1.582  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
BRANCH   1  14
ATOM     14  C   LIG    1       -1.103   0.737   1.106  0.00  0.00    +0.087 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -3.659   0.744   1.399  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -2.448   1.337   1.391  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -2.418   2.767   1.715  0.00  0.00    +0.052 N 
ATOM     18  O   LIG    1       -1.410   3.203   2.287  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1       -3.406   3.452   1.413  0.00  0.00    -0.126 OA
ENDBRANCH  16  17
BRANCH  15  20
ATOM     20  C   LIG    1       -3.944  -0.702   1.097  0.00  0.00    +0.029 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.614  -0.916  -0.266  0.00  0.00    +0.004 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.031  -0.338  -0.347  0.00  0.00    +0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -6.971  -2.000  -2.044  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -6.689  -0.542  -1.714  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 16