REMARK  Name = BDB018424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.954   4.356   2.328  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        2.789   3.226   1.426  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        3.791   2.939   0.508  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        4.837   3.568   0.383  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.542   1.771  -0.371  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.403   1.059  -0.288  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1        1.373   1.430   0.698  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.623   2.484   1.502  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.304  -0.098  -1.205  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1        2.124   0.098  -2.583  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1        2.010  -0.997  -3.443  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        2.076  -2.290  -2.929  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        1.930  -3.638  -3.989  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        2.258  -2.500  -1.564  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.374  -1.405  -0.703  0.00  0.00    +0.010 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1        0.144   0.703   0.825  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -0.738   0.382  -0.181  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1       -1.767  -0.348   0.386  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1       -1.595  -0.452   1.729  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1       -0.444   0.170   1.982  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -2.921  -0.871  -0.266  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -3.784  -1.786   0.363  0.00  0.00    +0.084 A 
ATOM     23  C   LIG    1       -4.967  -2.201  -0.271  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -5.281  -1.738  -1.547  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.416  -0.862  -2.195  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.245  -0.429  -1.563  0.00  0.00    +0.028 A 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.507  -2.437   1.655  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1       -4.214  -2.409   2.643  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -2.418  -3.221   1.556  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -2.303  -3.563   2.466  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 5