REMARK  Name = BDB044306
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.908   0.643  -1.071  0.00  0.00    -0.262 N 
ATOM      2  N   LIG    1       -1.324   1.339  -2.075  0.00  0.00    -0.177 NA
ATOM      3  C   LIG    1       -0.038   1.381  -1.720  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1        0.222   0.684  -0.519  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.007   0.209  -0.135  0.00  0.00    +0.132 A 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        1.446   0.524   0.100  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1        2.232   0.996  -0.324  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1        1.663  -0.149   1.293  0.00  0.00    +0.269 C 
ATOM      9  O   LIG    1        0.790  -0.666   1.984  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        3.091  -0.182   1.677  0.00  0.00    +0.151 A 
ATOM     11  C   LIG    1        4.230  -0.411   0.847  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        4.372  -0.709  -0.603  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1        5.773  -1.281  -0.912  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        6.941  -0.528  -0.197  0.00  0.00    -0.029 C 
ATOM     15  C   LIG    1        6.743  -0.542   1.352  0.00  0.00    +0.061 C 
ATOM     16  C   LIG    1        7.032   0.925  -0.706  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        8.267  -1.235  -0.534  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        5.312  -0.332   1.693  0.00  0.00    +0.040 A 
ATOM     19  N   LIG    1        4.816  -0.088   2.934  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        5.318   0.011   3.811  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1        3.479   0.015   2.953  0.00  0.00    -0.169 NA
ENDBRANCH   8  10
ENDBRANCH   4   6
BRANCH   1  22
ATOM     22  C   LIG    1       -3.358   0.386  -1.107  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.057   1.289  -0.097  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -4.107   0.991   1.275  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -4.759   1.849   2.162  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -4.828   1.452   3.836  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -5.355   3.022   1.708  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.299   3.342   0.353  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.654   2.484  -0.540  0.00  0.00    +0.006 A 
ENDBRANCH  22  23
BRANCH  22  30
ATOM     30  C   LIG    1       -3.658  -1.128  -1.014  0.00  0.00    +0.047 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -5.003  -1.526  -1.641  0.00  0.00    +0.086 C 
BRANCH  31  33
ATOM     32  C   LIG    1       -7.356  -1.042  -1.824  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1       -6.177  -0.971  -0.958  0.00  0.00    -0.308 NA
ATOM     34  C   LIG    1       -6.455  -1.667   0.302  0.00  0.00    +0.104 C 
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  22  30
ENDBRANCH   1  22
TORSDOF 7