REMARK  Name = BDB017635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.476  -1.285   3.323  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.082  -0.931   2.215  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -4.893  -0.045   1.337  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.272   0.321   1.816  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -7.189   0.728   0.657  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.487   1.713  -0.270  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -5.199   1.178  -0.691  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.146   0.922  -1.674  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.436   0.360   0.136  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.098  -0.082  -0.323  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.357  -0.948   0.494  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.093  -1.410   0.111  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.532  -0.997  -1.104  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -1.258  -0.116  -1.917  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.522   0.340  -1.529  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -2.876  -1.349   1.729  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.346  -1.955   2.338  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.836  -1.484  -1.531  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.817  -0.399  -1.688  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.081   0.286  -0.401  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.406   1.084  -0.365  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.564   0.222  -0.665  0.00  0.00    -0.311 N 
ATOM     23  C   LIG    1        4.258  -1.061  -1.318  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        3.074  -0.894  -2.297  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.651   0.216   0.203  0.00  0.00    +0.144 A 
ATOM     26  N   LIG    1        6.298  -0.941   0.478  0.00  0.00    -0.133 NA
ATOM     27  N   LIG    1        7.391  -0.980   1.321  0.00  0.00    -0.136 NA
ATOM     28  C   LIG    1        7.835   0.162   1.867  0.00  0.00    +0.152 A 
ATOM     29 CL   LIG    1        9.195   0.019   2.893  0.00  0.00    -0.060 Cl
ATOM     30  C   LIG    1        7.239   1.376   1.615  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        6.133   1.397   0.765  0.00  0.00    +0.048 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3