REMARK  Name = BDB047286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.918  -0.311  -2.507  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.000  -1.411  -1.958  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.916  -0.884  -1.018  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.245   0.297  -1.557  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1       -1.120   0.554  -1.468  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.616   1.583  -1.928  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.080   1.345  -2.142  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        2.573   1.082  -1.978  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.394  -0.691  -2.404  0.00  0.00    +0.166 C 
ATOM     10  O   LIG    1        4.945  -1.306  -3.318  0.00  0.00    -0.292 OA
BRANCH   9  15
ATOM     11  C   LIG    1        6.848   0.306   0.979  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        5.521  -0.114   1.191  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1        4.967  -0.224   2.586  0.00  0.00    +0.047 C 
ATOM     14  C   LIG    1        4.711  -0.446   0.092  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        5.207  -0.345  -1.209  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1        6.531   0.054  -1.412  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        7.346   0.383  -0.325  0.00  0.00    +0.046 A 
BRANCH  11  19
ATOM     18  C   LIG    1        8.913   1.018   1.940  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        7.562   0.607   2.109  0.00  0.00    -0.495 OA
ENDBRANCH  11  19
ENDBRANCH   9  15
ENDBRANCH   1   9
BRANCH   5  20
ATOM     20  C   LIG    1       -1.982  -0.501  -0.792  0.00  0.00    +0.096 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.437  -0.051  -0.649  0.00  0.00    +0.017 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.302  -1.151  -0.040  0.00  0.00    +0.075 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.697  -0.644   0.258  0.00  0.00    +0.110 A 
ATOM     24  N   LIG    1       -6.482  -0.420  -0.853  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1       -6.129  -0.584  -1.784  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1       -7.773   0.043  -0.793  0.00  0.00    +0.260 A 
ATOM     27  O   LIG    1       -8.455   0.228  -1.794  0.00  0.00    -0.267 OA
ATOM     28  C   LIG    1       -8.215   0.272   0.556  0.00  0.00    +0.072 A 
ATOM     29  C   LIG    1       -7.362   0.026   1.656  0.00  0.00    +0.088 A 
ATOM     30  C   LIG    1       -7.939   0.298   2.873  0.00  0.00    +0.013 A 
ATOM     31  S   LIG    1       -9.550   0.860   2.666  0.00  0.00    -0.099 S 
ATOM     32  C   LIG    1       -7.369   0.169   4.241  0.00  0.00    +0.054 C 
ATOM     33  C   LIG    1       -9.449   0.733   0.959  0.00  0.00    +0.061 A 
ATOM     34  N   LIG    1       -6.053  -0.451   1.491  0.00  0.00    -0.233 NA
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7