REMARK  Name = BDB015135
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.667  -0.850  -0.459  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.740  -0.730   0.378  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.969  -1.037  -0.216  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -4.160  -0.958   0.516  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -4.117  -0.563   1.856  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -2.895  -0.252   2.452  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.710  -0.334   1.715  0.00  0.00    +0.045 A 
BRANCH   4   8
ATOM      8  C   LIG    1       -5.436  -1.282  -0.108  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1       -6.571  -0.405  -0.293  0.00  0.00    -0.003 A 
ATOM     10  C   LIG    1       -7.634  -1.072  -0.909  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -8.853  -0.423  -1.191  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -8.999   0.924  -0.851  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -7.959   1.613  -0.247  0.00  0.00    +0.001 A 
ATOM     14  S   LIG    1       -7.239  -2.713  -1.249  0.00  0.00    -0.096 S 
ATOM     15  C   LIG    1       -6.752   0.965   0.032  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -5.677  -2.552  -0.590  0.00  0.00    +0.055 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.650  -0.632   0.062  0.00  0.00    +0.261 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.037   0.853   0.011  0.00  0.00    +0.166 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.259   1.255  -1.352  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1        2.151   0.918  -1.571  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        2.315   1.176   0.816  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.512   0.576   0.186  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.611   1.564   0.116  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.911   0.988  -0.404  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.158  -0.396  -0.353  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.381  -0.903  -0.812  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.363  -0.040  -1.296  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.130   1.333  -1.329  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.083  -1.333   0.134  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.912   1.845  -0.883  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.985  -0.608   0.924  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7