REMARK  Name = BDB006739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.206   3.135  -0.805  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        2.994   1.762  -0.288  0.00  0.00    +0.067 A 
ATOM      3  C   LIG    1        1.835   0.991  -0.292  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.415   0.998  -0.688  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -0.032  -0.345  -0.187  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1        1.042  -1.041   0.454  0.00  0.00    +0.271 C 
ATOM      7  O   LIG    1        1.031  -2.133   0.992  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.164  -0.178   0.325  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1        3.481  -0.128   0.681  0.00  0.00    -0.178 N 
ATOM     10  C   LIG    1        4.314  -1.056   1.358  0.00  0.00    +0.338 C 
ATOM     11  N   LIG    1        3.934  -2.395   1.230  0.00  0.00    -0.288 N 
ATOM     12  C   LIG    1        4.492  -3.300   2.217  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1        3.749  -2.978  -0.093  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1        5.255  -0.652   2.033  0.00  0.00    -0.248 OA
ATOM     15  N   LIG    1        3.996   1.104   0.318  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   5  16
ATOM     16  C   LIG    1       -1.331  -0.822  -0.385  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -2.258  -0.131  -1.086  0.00  0.00    +0.118 A 
ATOM     18  N   LIG    1       -3.540  -0.646  -1.255  0.00  0.00    -0.285 N 
ATOM     19  C   LIG    1       -3.952  -1.863  -0.750  0.00  0.00    +0.164 A 
ATOM     20  N   LIG    1       -5.205  -2.078  -1.086  0.00  0.00    -0.129 NA
ATOM     21  N   LIG    1       -5.638  -0.996  -1.815  0.00  0.00    -0.134 NA
ATOM     22  C   LIG    1       -3.012  -2.630   0.005  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1       -3.369  -3.963   0.613  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -4.642  -0.138  -1.910  0.00  0.00    +0.135 A 
ATOM     25  C   LIG    1       -4.674   1.169  -2.600  0.00  0.00    +0.088 C 
ATOM     26  C   LIG    1       -1.768  -2.114   0.168  0.00  0.00    +0.032 A 
ENDBRANCH   5  16
BRANCH   4  27
ATOM     27  C   LIG    1       -0.210   2.193   0.005  0.00  0.00    -0.022 A 
ATOM     28  C   LIG    1       -0.537   2.187   1.374  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -1.114   3.308   1.977  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.368   4.448   1.221  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -2.080   5.827   1.962  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -1.049   4.479  -0.134  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -0.473   3.359  -0.738  0.00  0.00    +0.007 A 
ENDBRANCH   4  27
TORSDOF 2