REMARK  Name = BDB000524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567   0.221  -1.330  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.700  -0.760  -1.052  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.691  -0.107  -0.264  0.00  0.00    -0.492 OA
BRANCH   3  13
ATOM      4  C   LIG    1       -4.822  -0.058   0.745  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -6.037  -0.717   1.078  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -6.213  -2.054   0.725  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1       -7.461  -2.436   1.166  0.00  0.00    -0.361 N 
ATOM      8  H   LIG    1       -7.853  -3.360   1.044  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -8.088  -1.387   1.780  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1       -5.242  -2.791   0.046  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.053  -2.139  -0.291  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -7.234  -0.310   1.740  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.837  -0.799   0.042  0.00  0.00    +0.125 A 
BRANCH   4  14
ATOM     14  C   LIG    1       -4.582   1.397   1.099  0.00  0.00    +0.066 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -5.573   2.205  -1.119  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.982   2.419   0.065  0.00  0.00    -0.030 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3  13
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.074   0.740  -0.044  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        1.182   1.589  -0.348  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.428   1.034  -0.458  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        3.460   1.967  -0.606  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.765   1.516  -0.724  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        6.000   2.337  -0.927  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        7.092   1.328  -0.545  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.537  -0.067  -0.910  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        5.061   0.150  -0.712  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        4.047  -0.786  -0.591  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.727  -0.337  -0.456  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        7.181  -1.228  -0.160  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.966  -1.207   1.329  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        7.557  -0.510   2.136  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        6.023  -2.077   1.737  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        5.969  -1.927   2.704  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11