REMARK  Name = BDB037046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.181  -0.156  -0.372  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1        0.844  -0.541   0.785  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.378  -0.953   1.829  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.274  -0.338   0.541  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        3.347  -0.625   1.356  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        4.585  -0.306   0.832  0.00  0.00    +0.113 A 
ATOM      7  N   LIG    1        4.775   0.254  -0.394  0.00  0.00    -0.243 NA
ATOM      8  C   LIG    1        3.678   0.519  -1.139  0.00  0.00    +0.135 A 
ATOM      9 CL   LIG    1        3.990   1.231  -2.663  0.00  0.00    -0.062 Cl
ATOM     10  C   LIG    1        2.413   0.237  -0.712  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1        1.088   0.454  -1.339  0.00  0.00    +0.147 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -5.136   0.587   0.870  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.975   0.382   0.525  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.010   1.343   0.687  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.308   2.199   1.136  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.703   1.312   0.257  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -0.985   2.305   0.370  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.264   0.030  -0.467  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.074  -1.168   0.027  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -3.556  -0.891  -0.174  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1