REMARK  Name = BDB049670
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.079   0.243  -0.019  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.994   1.298   0.151  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.289   0.985  -0.206  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.513   0.001  -0.190  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.647   2.388   0.597  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.391   1.862  -0.290  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -5.660   1.283  -0.427  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -6.796   2.090  -0.530  0.00  0.00    +0.045 A 
ATOM      9 CL   LIG    1       -8.346   1.361  -0.693  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -6.684   3.474  -0.506  0.00  0.00    +0.058 A 
ATOM     11  C   LIG    1       -5.424   4.041  -0.381  0.00  0.00    +0.127 A 
ATOM     12  F   LIG    1       -5.306   5.375  -0.368  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.280   3.252  -0.276  0.00  0.00    +0.061 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.233  -0.012  -0.073  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.521  -0.397   1.164  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.043  -0.728   0.958  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.316   0.506   0.401  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.134   1.218  -0.694  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.316   0.369  -1.155  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.338   0.940   0.204  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        5.045   1.473  -1.055  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.409   0.358   1.172  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.683  -2.024   0.222  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.353  -0.722   0.623  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -1.311  -0.811  -1.018  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.172  -1.961  -0.539  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.877  -2.721  -1.486  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.681  -3.791  -1.088  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.783  -4.121   0.261  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.078  -3.386   1.211  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.274  -2.316   0.813  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7