REMARK  Name = BDB046416
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.096  -0.365  -0.221  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1        2.111  -0.873  -1.078  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.761  -0.886  -0.694  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -0.262  -1.455  -1.637  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.403  -0.339   0.550  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        1.381   0.122   1.446  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        1.032   0.642   2.811  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.724   0.124   1.038  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.539  -0.333  -0.589  0.00  0.00    +0.339 C 
ATOM     10  O   LIG    1        5.412   0.100   0.146  0.00  0.00    -0.245 OA
BRANCH   9  12
ATOM     11  C   LIG    1        6.094  -0.844  -2.254  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        4.729  -0.842  -1.832  0.00  0.00    -0.464 OA
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  O   LIG    1       -0.916  -0.317   0.930  0.00  0.00    -0.472 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -1.592   0.865   0.462  0.00  0.00    +0.311 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.838   0.474  -0.321  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.645  -0.602   0.085  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.794  -0.938  -0.633  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.155  -0.200  -1.758  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.371   0.877  -2.165  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.221   1.216  -1.450  0.00  0.00    +0.008 A 
ENDBRANCH  14  15
BRANCH  14  21
ATOM     21  C   LIG    1       -1.975   1.794   1.619  0.00  0.00    +0.351 C 
ATOM     22  O   LIG    1       -1.998   3.018   1.575  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -2.348   1.162   2.753  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -2.599   1.888   3.361  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 7