REMARK  Name = BDB033816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.442  -2.921  -1.139  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1        0.214  -1.608  -0.829  0.00  0.00    +0.149 A 
ATOM      3  C   LIG    1       -0.435  -0.429  -0.883  0.00  0.00    +0.213 A 
ATOM      4  C   LIG    1        0.328   0.822  -0.609  0.00  0.00    +0.235 A 
ATOM      5  O   LIG    1       -0.148   1.942  -0.747  0.00  0.00    -0.283 OA
ATOM      6  C   LIG    1        1.721   0.650  -0.172  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        2.259  -0.631  -0.124  0.00  0.00    +0.184 A 
ATOM      8  C   LIG    1        3.582  -0.807   0.284  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        4.359   0.296   0.643  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        3.822   1.582   0.595  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        2.498   1.760   0.185  0.00  0.00    +0.019 A 
ATOM     12  O   LIG    1        1.546  -1.750  -0.471  0.00  0.00    -0.452 OA
ENDROOT
BRANCH   9  13
ATOM     13  O   LIG    1        5.652   0.104   1.041  0.00  0.00    -0.503 OA
ATOM     14  H   LIG    1        6.058   0.960   1.247  0.00  0.00    +0.292 HD
ENDBRANCH   9  13
BRANCH   8  15
ATOM     15  O   LIG    1        4.130  -2.062   0.335  0.00  0.00    -0.501 OA
ATOM     16  H   LIG    1        3.449  -2.690   0.039  0.00  0.00    +0.292 HD
ENDBRANCH   8  15
BRANCH   3  17
ATOM     17  O   LIG    1       -1.767  -0.347  -1.266  0.00  0.00    -0.449 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.652   0.222  -0.379  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -2.638  -0.049   0.992  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -3.596   0.533   1.823  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.572   1.373   1.285  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.595   1.628  -0.086  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -3.639   1.047  -0.920  0.00  0.00    +0.046 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4