REMARK  Name = BDB018415
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.124   4.647  -0.477  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.287   3.205  -0.369  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.540   2.646  -0.571  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.561   3.271  -0.839  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.611   1.169  -0.450  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.525   0.436  -0.141  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.228   1.097   0.084  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -1.179   2.439  -0.050  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.739  -1.027  -0.106  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1       -3.442  -1.619   0.953  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -3.626  -3.001   0.977  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -4.484  -3.723   2.283  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.119  -3.803  -0.044  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.421  -3.219  -1.101  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.232  -1.836  -1.133  0.00  0.00    +0.008 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.046   0.361   0.432  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        1.200   0.511  -0.139  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        2.059  -0.358   0.499  0.00  0.00    -0.238 N 
ATOM     19  N   LIG    1        1.383  -1.113   1.409  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.133  -0.651   1.385  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.462  -0.568   0.311  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        4.317   0.328  -0.359  0.00  0.00    +0.077 A 
ATOM     23  C   LIG    1        5.679  -0.001  -0.514  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        6.199  -1.188  -0.001  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.366  -2.061   0.687  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.014  -1.753   0.846  0.00  0.00    +0.029 A 
BRANCH  22  27
ATOM     27  C   LIG    1        3.927   1.619  -0.846  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1        3.629   2.669  -1.242  0.00  0.00    -0.191 NA
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4