REMARK  Name = BDB050255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.200  -2.000   0.238  0.00  0.00    -0.491 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.666   0.289   0.728  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        4.634  -1.089   0.965  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.451  -1.810   0.785  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.281  -1.173   0.366  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.305   0.201   0.136  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        3.489   0.926   0.315  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        5.942   1.081   0.917  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.054   0.793  -0.110  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.528   0.967  -1.542  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.577   0.161  -2.458  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        6.024   2.201  -1.770  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        5.729   2.151  -2.705  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        7.631  -0.480   0.196  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        9.395  -2.067  -0.020  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        8.887  -0.701  -0.440  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -0.003  -1.470  -0.326  0.00  0.00    +0.244 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.908  -0.883   0.771  0.00  0.00    +0.125 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.114  -0.207   0.258  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -2.822   0.477   1.355  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.992   1.321   0.820  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.839   0.551  -0.156  0.00  0.00    -0.038 C 
ATOM     23  C   LIG    1       -4.382  -0.584  -0.713  0.00  0.00    -0.007 C 
ATOM     24  C   LIG    1       -3.022  -1.151  -0.420  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -6.177   1.080  -0.478  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -7.366   0.415  -0.108  0.00  0.00    +0.127 A 
ATOM     27  C   LIG    1       -8.601   0.978  -0.452  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -8.662   2.186  -1.153  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.491   2.844  -1.516  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.255   2.294  -1.179  0.00  0.00    +0.012 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -7.220  -0.755   0.595  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -8.400  -1.453   0.966  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12