REMARK  Name = BDB048892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.221  -0.510   0.039  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        4.217  -0.212  -0.895  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        2.985   0.257  -0.436  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1        2.732   0.432   0.949  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1        3.751   0.158   1.869  0.00  0.00    +0.080 A 
ATOM      6  N   LIG    1        3.603   0.335   3.184  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1        2.422   0.808   3.595  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1        1.373   1.098   2.821  0.00  0.00    -0.220 NA
ATOM      9  C   LIG    1        1.516   0.892   1.499  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1        4.972  -0.314   1.402  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1        0.405   1.132   0.660  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1       -0.540   2.133   1.198  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -1.775   2.218   0.275  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1       -2.553   0.966   0.250  0.00  0.00    -0.293 NA
ATOM     15  C   LIG    1       -1.736  -0.216   0.575  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1       -0.237  -0.125   0.198  0.00  0.00    +0.122 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -3.444   0.844  -0.917  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -2.717   0.480  -2.224  0.00  0.00    +0.029 C 
BRANCH  17  19
ATOM     19  C   LIG    1       -4.641  -0.051  -0.584  0.00  0.00    -0.031 A 
ATOM     20  C   LIG    1       -5.548   0.379   0.404  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -6.660  -0.391   0.750  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -6.887  -1.608   0.115  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.001  -2.054  -0.862  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.886  -1.284  -1.208  0.00  0.00    +0.005 A 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   9  11
BRANCH   1  26
ATOM     25  C   LIG    1        7.447  -1.285   0.440  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        6.406  -0.975  -0.475  0.00  0.00    -0.491 OA
ENDBRANCH   1  26
BRANCH   2  27
ATOM     27  O   LIG    1        4.531  -0.414  -2.214  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        3.566  -0.044  -3.188  0.00  0.00    +0.277 C 
ENDBRANCH   2  27
TORSDOF 5