REMARK  Name = BDB019186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.984   1.684   0.223  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.616   1.268  -1.204  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.829   1.714  -1.298  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.364   1.529   0.121  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.224   1.680   1.012  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.015   0.151   0.387  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.374  -0.093  -0.251  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -3.866  -1.414  -0.173  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1       -5.123  -1.739  -0.697  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -5.882  -0.752  -1.319  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -5.406   0.554  -1.409  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -7.423  -1.147  -1.974  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.022  -2.429   0.554  0.00  0.00    +0.222 C 
ATOM     14  F   LIG    1       -3.208  -2.330   1.906  0.00  0.00    -0.238 F 
ATOM     15  C   LIG    1       -1.525  -2.213   0.269  0.00  0.00    +0.202 C 
ATOM     16  C   LIG    1       -4.158   0.886  -0.872  0.00  0.00    +0.008 A 
ATOM     17  O   LIG    1       -1.129  -0.878  -0.088  0.00  0.00    -0.366 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.117  -1.494   1.610  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.248  -0.561   0.826  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.920  -0.259   1.161  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.010  -0.637   2.184  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        1.822   0.024   1.954  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        1.975   0.797   0.828  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.248   0.630   0.331  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        3.738   1.224  -0.775  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.018   0.870  -0.996  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        5.785   0.028  -0.277  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.395   1.919  -2.219  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        2.333   1.727  -1.997  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.867   3.110  -1.644  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.150   3.221  -2.306  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4