REMARK  Name = BDB018485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.615   4.269  -2.048  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.427   2.956  -1.449  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.503   2.083  -1.374  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.638   2.321  -1.776  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -4.222   0.767  -0.749  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.991   0.448  -0.308  0.00  0.00    -0.004 A 
ATOM      7  C   LIG    1       -1.889   1.419  -0.433  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.166   2.616  -0.989  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.860  -0.887   0.317  0.00  0.00    -0.017 A 
ATOM     10  C   LIG    1       -2.907  -2.049  -0.470  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.745  -3.306   0.117  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.535  -3.406   1.492  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.317  -4.954   2.210  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.493  -2.262   2.285  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.657  -1.004   1.699  0.00  0.00    +0.010 A 
ENDBRANCH   6   9
BRANCH   7  16
ATOM     16  C   LIG    1       -0.563   1.125   0.025  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        0.178  -0.002  -0.248  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        1.390   0.142   0.396  0.00  0.00    -0.237 N 
ATOM     19  N   LIG    1        1.446   1.304   1.082  0.00  0.00    -0.174 NA
ATOM     20  C   LIG    1        0.281   1.904   0.835  0.00  0.00    +0.143 A 
BRANCH  18  21
ATOM     21  C   LIG    1        2.416  -0.833   0.523  0.00  0.00    +0.090 A 
ATOM     22  C   LIG    1        3.761  -0.495   0.767  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        4.686  -1.510   1.063  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1        4.292  -2.849   1.066  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        2.978  -3.190   0.764  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        2.042  -2.191   0.496  0.00  0.00    +0.030 A 
BRANCH  22  27
ATOM     27  S   LIG    1        4.380   1.160   0.479  0.00  0.00    -0.004 S 
ATOM     28  O   LIG    1        4.402   1.855   1.750  0.00  0.00    -0.170 OA
ATOM     29  O   LIG    1        3.709   1.680  -0.700  0.00  0.00    -0.170 OA
ATOM     30  C   LIG    1        6.070   0.979  -0.022  0.00  0.00    +0.200 C 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH   7  16
TORSDOF 4