REMARK  Name = BDB006589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.209   1.510  -2.601  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.875   0.376  -1.708  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -1.637   0.026  -1.157  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -0.209   0.391  -1.093  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1        0.330  -0.702  -0.212  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.710  -1.592   0.208  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1       -0.647  -2.578   0.921  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.876  -1.087  -0.412  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -3.186  -1.365  -0.505  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.832  -0.489  -1.312  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.686  -0.840   0.098  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.165  -1.782   0.934  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.513  -1.905   1.239  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        3.914  -2.958   2.161  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.482  -1.060   0.711  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.682  -1.134   0.964  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        3.979  -0.010  -0.226  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.002   0.908  -0.816  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        2.664   0.064  -0.495  0.00  0.00    +0.033 A 
ENDBRANCH   5  11
BRANCH   4  20
ATOM     20  C   LIG    1       -0.169   1.788  -0.501  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1        0.013   2.890  -1.357  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.050   4.192  -0.850  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -0.096   4.407   0.518  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -0.050   6.009   1.141  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.281   3.332   1.383  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.319   2.030   0.877  0.00  0.00    +0.007 A 
ENDBRANCH   4  20
BRANCH   9  27
ATOM     27  C   LIG    1       -3.863  -2.497   0.151  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1       -5.223  -2.360   0.794  0.00  0.00    +0.029 C 
ATOM     29  C   LIG    1       -4.013  -2.581   1.652  0.00  0.00    +0.029 C 
ENDBRANCH   9  27
TORSDOF 3