REMARK  Name = BDB034447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.156  -1.445  -0.543  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.428  -1.533  -1.391  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -1.600  -0.441  -2.352  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1       -2.373  -0.675  -2.975  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -1.884   0.863  -1.748  0.00  0.00    +0.116 C 
BRANCH   5   8
ATOM      6  C   LIG    1       -4.713   0.974   0.831  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.433   0.901   0.255  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.262   0.962  -1.137  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -4.393   1.103  -1.953  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -5.667   1.187  -1.391  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.827   1.127  -0.007  0.00  0.00    +0.012 A 
BRANCH   6  13
ATOM     12  F   LIG    1       -4.709   2.147   2.909  0.00  0.00    -0.166 F 
ATOM     13  C   LIG    1       -4.878   0.926   2.330  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -6.109   0.493   2.723  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.983   0.096   2.936  0.00  0.00    -0.166 F 
ENDBRANCH   6  13
ENDBRANCH   5   8
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        1.116  -1.448  -1.393  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  N   LIG    1        2.302  -1.503  -0.536  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        3.006  -2.134  -0.913  0.00  0.00    +0.146 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.908  -0.346  -0.011  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        4.097  -0.461   0.768  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        4.669   0.725   1.291  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        5.836   0.650   2.036  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        6.452  -0.571   2.296  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        5.902  -1.749   1.814  0.00  0.00    +0.021 A 
ATOM     25 CL   LIG    1        7.897  -0.622   3.228  0.00  0.00    -0.083 Cl
ATOM     26  N   LIG    1        4.129   1.936   1.108  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1        2.980   2.011   0.413  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        4.732  -1.695   1.058  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        2.339   0.921  -0.143  0.00  0.00    +0.043 A 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8