REMARK  Name = BDB050318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.700   0.078  -1.730  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.312   0.037  -1.529  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.520   1.165  -1.776  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1       -2.119   2.349  -2.217  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -3.499   2.397  -2.420  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.285   1.270  -2.178  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.051   1.087  -1.527  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1        0.380   0.305  -0.579  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1        0.870   1.933  -2.384  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1        1.776   0.369  -0.455  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1        2.187  -0.533   0.571  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.680  -0.428   0.737  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        4.533  -1.383   0.172  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        5.917  -1.269   0.322  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        6.473  -0.201   1.029  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1        5.629   0.760   1.585  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        4.242   0.648   1.437  0.00  0.00    +0.010 A 
BRANCH  15  18
ATOM     18  O   LIG    1        7.839  -0.211   1.099  0.00  0.00    -0.495 OA
ATOM     19  C   LIG    1        8.454   0.863   1.799  0.00  0.00    +0.277 C 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -4.556  -1.137  -1.438  0.00  0.00    +0.078 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.751  -1.355   0.071  0.00  0.00    +0.230 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.038  -2.153   0.300  0.00  0.00    +0.334 C 
ATOM     23  O   LIG    1       -6.150  -3.262   0.797  0.00  0.00    -0.248 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -7.149  -1.476  -0.070  0.00  0.00    -0.479 OA
ATOM     25  H   LIG    1       -7.878  -2.093   0.155  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
BRANCH  21  26
ATOM     26  O   LIG    1       -3.600  -2.051   0.566  0.00  0.00    -0.365 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -2.593  -0.674   2.282  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -3.405  -1.920   1.972  0.00  0.00    +0.157 C 
ENDBRANCH  26  28
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 11