REMARK  Name = BDB047344
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.504  -1.156  -0.615  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.860   0.155  -0.293  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.155   0.460   0.167  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        3.106  -0.577   0.307  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        4.398  -0.271   0.765  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        4.749   1.042   1.082  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.815   2.064   0.945  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.736  -1.890  -0.011  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.526   1.775   0.491  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        1.446  -2.174  -0.464  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -0.717  -1.578  -1.064  0.00  0.00    -0.478 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.697  -0.586  -1.432  0.00  0.00    +0.281 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.576  -1.237  -2.507  0.00  0.00    +0.346 C 
ATOM     14  O   LIG    1       -3.511  -0.683  -3.068  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -2.219  -2.514  -2.796  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -1.447  -2.764  -2.242  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -2.542  -0.225  -0.203  0.00  0.00    +0.056 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.079   1.451   0.881  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -3.292   1.097  -0.371  0.00  0.00    +0.001 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 6