REMARK  Name = BDB051419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.500  -0.478   0.465  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.334  -0.630  -0.293  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.787  -1.280   0.246  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.759  -1.780   1.546  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.407  -1.631   2.300  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.527  -0.988   1.768  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.718   0.258   0.659  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -2.721   0.212  -0.058  0.00  0.00    +0.167 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.662   0.818  -1.452  0.00  0.00    +0.114 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.919   1.546  -1.870  0.00  0.00    -0.040 A 
ATOM     11  C   LIG    1       -4.072   2.913  -1.602  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.235   3.583  -1.987  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.257   2.893  -2.636  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.120   1.531  -2.897  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -4.958   0.859  -2.514  0.00  0.00    +0.004 A 
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  O   LIG    1        1.770  -2.420   2.202  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.046  -2.608   1.562  0.00  0.00    +0.285 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.565  -3.967   2.037  0.00  0.00    +0.346 C 
ATOM     19  O   LIG    1        4.654  -4.433   1.729  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1        2.695  -4.635   2.835  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        1.883  -4.096   2.961  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
BRANCH  17  22
ATOM     22  C   LIG    1        4.043  -1.533   2.017  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.929  -0.249   1.230  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        4.542  -0.133  -0.026  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.416   1.042  -0.767  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.678   2.111  -0.262  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.067   2.007   0.986  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.193   0.834   1.731  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 9