REMARK  Name = BDB052360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352   0.353   0.510  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -0.521   1.742  -0.198  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -1.429   0.997  -1.238  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -0.630  -0.293  -0.882  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.173   2.957   0.600  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -1.191   3.031   2.007  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.771   4.106   2.688  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.348   5.152   1.978  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.337   5.124   0.589  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.755   4.045  -0.083  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -1.395  -1.684  -0.960  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -2.613  -1.926  -0.293  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.283  -3.149  -0.391  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -2.750  -4.174  -1.164  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.548  -3.975  -1.834  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -0.886  -2.749  -1.730  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.999   0.082   1.209  0.00  0.00    +0.312 C 
ATOM     18  O   LIG    1        1.325   0.554   2.296  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        1.797  -0.761   0.489  0.00  0.00    -0.461 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.082  -1.092   1.059  0.00  0.00    +0.173 C 
ATOM     21  C   LIG    1        4.080  -0.000   0.681  0.00  0.00    +0.052 C 
BRANCH  20  23
ATOM     22  C   LIG    1        4.759  -3.023   1.057  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        3.466  -2.463   0.487  0.00  0.00    +0.041 C 
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  24
ATOM     24  C   LIG    1       -1.371   1.443  -2.717  0.00  0.00    +0.309 C 
ATOM     25  O   LIG    1       -0.809   2.443  -3.149  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -2.025   0.601  -3.562  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -2.425  -0.171  -3.113  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 8