REMARK  Name = BDB048866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.847  -1.940   0.489  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.200  -2.289   1.113  0.00  0.00    +0.075 C 
BRANCH   2  10
ATOM      3  C   LIG    1        4.984  -0.957  -2.933  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1        5.347  -0.013  -1.821  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        4.741  -0.132  -0.558  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        5.105   0.770   0.450  0.00  0.00    +0.065 A 
ATOM      7  C   LIG    1        4.454   0.626   1.763  0.00  0.00    +0.259 A 
ATOM      8  N   LIG    1        3.541  -0.392   1.865  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1        3.106  -0.494   2.770  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        3.242  -1.234   0.830  0.00  0.00    +0.110 A 
ATOM     11  O   LIG    1        4.706   1.364   2.707  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        6.050   1.776   0.229  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.647   1.888  -1.023  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1        3.788  -1.146  -0.338  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1        6.298   0.999  -2.042  0.00  0.00    +0.005 A 
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.186  -0.723   1.153  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.114  -0.391   0.554  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1       -2.178  -1.330   0.941  0.00  0.00    +0.089 C 
ATOM     19  C   LIG    1       -3.475  -1.033   0.166  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.841   0.431   0.191  0.00  0.00    -0.042 C 
ATOM     21  C   LIG    1       -2.914   1.342   0.542  0.00  0.00    -0.008 C 
ATOM     22  C   LIG    1       -1.502   0.985   0.914  0.00  0.00    +0.112 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -5.215   0.821  -0.184  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -5.927   1.770   0.567  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -7.234   2.125   0.220  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -7.843   1.531  -0.882  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1       -9.451   1.966  -1.310  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1       -7.157   0.584  -1.637  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -5.850   0.230  -1.287  0.00  0.00    +0.009 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5