REMARK  Name = BDB050244
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.587   1.158  -2.721  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        2.984   0.600  -3.854  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        1.639   0.226  -3.822  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.871   0.410  -2.669  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.466   0.975  -1.542  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.816   1.345  -1.567  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        5.054   1.523  -2.737  0.00  0.00    +0.078 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.967   0.298  -2.617  0.00  0.00    +0.230 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.391   0.710  -2.995  0.00  0.00    +0.334 C 
ATOM     10  O   LIG    1        7.731   1.117  -4.095  0.00  0.00    -0.248 OA
BRANCH   9  11
ATOM     11  O   LIG    1        8.258   0.577  -1.958  0.00  0.00    -0.479 OA
ATOM     12  H   LIG    1        7.743   0.248  -1.182  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  O   LIG    1        6.022  -0.160  -1.245  0.00  0.00    -0.365 OA
BRANCH  13  15
ATOM     14  C   LIG    1        5.381  -1.752   0.414  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        5.315  -1.389  -1.056  0.00  0.00    +0.157 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1       -0.421  -0.020  -2.777  0.00  0.00    -0.491 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.334   0.263  -1.713  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.300  -0.851  -0.649  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.267  -0.769   0.454  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.232   0.506   1.177  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.062   0.429   2.472  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.400  -0.234   2.258  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -4.650  -0.919   1.126  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -3.632  -1.107   0.036  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.432  -0.090   3.298  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -5.854   1.177   3.721  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.832   1.306   4.711  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.396   0.169   5.288  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.987  -1.096   4.873  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.011  -1.225   3.883  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11