REMARK  Name = BDB000439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.116   1.742  -0.052  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.441   0.969  -1.169  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.733   0.472  -1.279  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -4.291  -0.389  -2.368  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -5.799  -0.213  -2.136  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -5.997   0.030  -0.621  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -4.694   0.711  -0.290  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -4.386   1.476   0.820  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.091   1.989   0.932  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.899   2.305   0.215  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1        0.143   2.186  -0.751  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1        0.938   0.896  -0.579  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.490   0.745   0.837  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.288  -0.437   0.936  0.00  0.00    -0.492 OA
BRANCH  14  18
ATOM     15  C   LIG    1        6.392  -0.495   0.145  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1        5.706  -1.609   0.641  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        4.333  -1.538   0.888  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.623  -0.358   0.654  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        4.303   0.755   0.162  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        5.679   0.687  -0.087  0.00  0.00    +0.007 A 
BRANCH  15  22
ATOM     21  C   LIG    1        8.676  -0.155   1.122  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        7.876  -0.558  -0.107  0.00  0.00    +0.032 C 
ENDBRANCH  15  22
ENDBRANCH  14  18
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1       -6.184  -1.284   0.141  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.619  -1.059   1.564  0.00  0.00    +0.305 C 
ATOM     25  O   LIG    1       -7.171  -0.075   2.025  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.381  -2.135   2.340  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1       -6.712  -1.871   3.224  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 10