REMARK  Name = BDB032796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.084  -1.902   0.088  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.937  -0.913   0.600  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.196  -0.799   0.042  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.277   0.132   0.385  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.308  -0.100  -0.514  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.045  -1.263  -1.352  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.237   0.928   1.302  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.641  -1.617  -0.993  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.813  -2.592  -1.515  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.527  -2.727  -0.973  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.652   0.451  -0.383  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -6.436  -0.254   0.735  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.268  -1.434   1.042  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.448   0.476   1.315  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.985  -0.001   2.026  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.888   1.730   0.969  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.898   2.207   1.477  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.124   2.439  -0.125  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -5.681   1.966  -0.186  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.310  -2.058   0.644  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.129  -1.049   0.047  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.094  -0.081  -0.187  0.00  0.00    -0.251 N 
ATOM     23  H   LIG    1        3.498   0.476  -0.784  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.428  -1.097   0.439  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        3.877  -1.923   1.217  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        9.608   1.481   0.068  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1        8.165   1.078  -0.004  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        7.235   1.762  -0.793  0.00  0.00    +0.048 A 
ATOM     29 CL   LIG    1        7.694   3.129  -1.748  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        5.894   1.359  -0.836  0.00  0.00    +0.043 A 
ATOM     31  C   LIG    1        5.453   0.261  -0.090  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.372  -0.425   0.699  0.00  0.00    +0.062 A 
ATOM     33  C   LIG    1        7.706  -0.015   0.734  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1        8.560  -0.703   1.506  0.00  0.00    -0.205 F 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5