REMARK  Name = BDB000525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.054  -2.640   0.161  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.488  -2.615  -1.267  0.00  0.00    +0.082 C 
BRANCH   2   3
ATOM      3  C   LIG    1        2.000  -2.428  -1.298  0.00  0.00    +0.232 C 
BRANCH   3   4
ATOM      4  O   LIG    1        2.312  -1.160  -0.723  0.00  0.00    -0.492 OA
BRANCH   4  12
ATOM      5  C   LIG    1        8.219   2.890   0.980  0.00  0.00    +0.063 C 
ATOM      6  C   LIG    1        7.137   1.961   0.571  0.00  0.00    +0.014 A 
ATOM      7  N   LIG    1        7.406   0.773  -0.064  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        8.328   0.436  -0.301  0.00  0.00    +0.166 HD
ATOM      9  C   LIG    1        6.238   0.098  -0.335  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        5.190   0.882   0.142  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        3.871   0.414  -0.013  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.635  -0.820  -0.635  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.707  -1.580  -1.103  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.029  -1.135  -0.962  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        5.767   2.051   0.709  0.00  0.00    +0.031 A 
ENDBRANCH   4  12
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -1.465  -2.863   0.154  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.300  -1.779   0.097  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -3.657  -2.094   0.232  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -4.593  -1.075   0.179  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -6.077  -1.180   0.332  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -6.529   0.171  -0.242  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.385   1.181   0.019  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.199   0.254   0.007  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -2.861   0.583  -0.131  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -1.909  -0.443  -0.090  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -5.512   1.902   1.359  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.604   2.928   1.310  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -7.727   2.809   1.772  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -6.239   4.052   0.667  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -7.034   4.624   0.713  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9