REMARK  Name = BDB043249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.865   0.082  -0.468  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.753   0.991   0.109  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.974   0.561   0.634  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.326  -0.792   0.589  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -2.432  -1.702   0.009  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.210  -1.268  -0.517  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.291   0.636  -0.941  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.247  -0.250  -1.533  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.466   0.562  -1.966  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.223   2.957   0.401  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.217   1.906   0.125  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.350   0.914  -0.822  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.501   0.197  -0.577  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.020   0.768   0.495  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.283   1.820   0.976  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.244   0.434   1.219  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.646   1.136   2.365  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.822   0.792   3.039  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.610  -0.258   2.574  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        8.225  -0.966   1.438  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        7.050  -0.622   0.765  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.652  -1.264   1.149  0.00  0.00    +0.099 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.856  -1.138   0.185  0.00  0.00    +0.227 C 
ATOM     24  O   LIG    1       -6.139   0.279  -0.018  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -6.106   0.762  -1.300  0.00  0.00    +0.189 C 
ATOM     26  C   LIG    1       -5.917   0.027  -2.400  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.733  -1.391  -2.299  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -5.697  -1.952  -1.086  0.00  0.00    +0.032 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -7.083  -1.714   0.933  0.00  0.00    +0.353 C 
ATOM     30  O   LIG    1       -7.178  -2.867   1.335  0.00  0.00    -0.246 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -8.078  -0.807   1.127  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -7.820   0.048   0.717  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9