REMARK  Name = BDB011133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.500  -0.087   1.763  0.00  0.00    +0.237 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.810   0.263   2.219  0.00  0.00    -0.476 OA
BRANCH   2   7
ATOM      3  C   LIG    1        4.217  -0.251   1.022  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1        3.956  -0.895  -0.201  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        2.612  -1.104  -0.540  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        1.551  -0.744   0.213  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        1.832  -0.145   1.384  0.00  0.00    +0.215 A 
ATOM      8  C   LIG    1        3.120   0.117   1.820  0.00  0.00    +0.071 A 
BRANCH   3  10
ATOM      9  C   LIG    1        5.881   1.556   1.620  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        5.600   0.060   1.548  0.00  0.00    +0.032 C 
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  C   LIG    1        5.009  -1.378  -1.171  0.00  0.00    +0.048 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.178  -0.476  -2.390  0.00  0.00    +0.125 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.869   0.816  -2.071  0.00  0.00    +0.305 C 
ATOM     14  O   LIG    1        5.415   1.936  -2.235  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1        7.123   0.645  -1.612  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1        7.454   1.560  -1.487  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.038   0.950   0.778  0.00  0.00    +0.100 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.325   0.526   0.174  0.00  0.00    +0.086 A 
ATOM     19  C   LIG    1       -2.547  -0.257  -0.939  0.00  0.00    +0.126 A 
ATOM     20  C   LIG    1       -1.677  -0.945  -1.908  0.00  0.00    +0.088 C 
ATOM     21  O   LIG    1       -3.897  -0.383  -1.100  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1       -4.432   0.341  -0.066  0.00  0.00    +0.228 A 
ATOM     23  N   LIG    1       -3.531   0.898   0.723  0.00  0.00    -0.214 NA
BRANCH  22  24
ATOM     24  C   LIG    1       -5.889   0.393   0.021  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -6.714  -0.266  -0.904  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -8.108  -0.199  -0.796  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -8.698   0.528   0.241  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -7.889   1.188   1.169  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -6.495   1.119   1.058  0.00  0.00    +0.014 A 
BRANCH  27  30
ATOM     30  C   LIG    1      -10.126   0.596   0.352  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1      -11.282   0.650   0.441  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11