REMARK  Name = BDB000528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.266  -1.810  -1.831  0.00  0.00    +0.027 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.163   0.556  -2.688  0.00  0.00    -0.027 C 
ATOM      3  C   LIG    1        0.491  -0.618  -2.718  0.00  0.00    -0.031 C 
BRANCH   2   4
ATOM      4  C   LIG    1       -1.233   0.982  -1.723  0.00  0.00    +0.053 C 
BRANCH   4   6
ATOM      5  C   LIG    1       -3.687   0.403  -2.152  0.00  0.00    -0.031 C 
ATOM      6  C   LIG    1       -2.566   1.099  -2.403  0.00  0.00    -0.027 C 
BRANCH   5   7
ATOM      7  C   LIG    1       -3.888  -0.694  -1.144  0.00  0.00    +0.027 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.955  -0.350  -0.098  0.00  0.00    +0.004 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.606   0.820   0.828  0.00  0.00    +0.000 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.172   1.679   2.713  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -3.435   0.519   1.765  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   5   7
ENDBRANCH   4   6
ENDBRANCH   2   4
ENDBRANCH   1   3
BRANCH   1  12
ATOM     12  C   LIG    1        1.422  -2.054  -0.856  0.00  0.00    +0.004 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.525  -0.973   0.225  0.00  0.00    +0.000 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.584  -1.279   1.288  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.022  -1.403   0.776  0.00  0.00    +0.001 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.557  -0.204  -0.017  0.00  0.00    +0.011 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.535   1.128   0.733  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.477   1.158   1.905  0.00  0.00    +0.305 C 
ATOM     19  O   LIG    1        6.438   0.434   2.105  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        5.178   2.149   2.768  0.00  0.00    -0.481 OA
ATOM     21  H   LIG    1        5.865   2.074   3.462  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 15