REMARK  Name = BDB042765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.087  -1.006  -0.898  0.00  0.00    +0.060 C 
ATOM      2  C   LIG    1       -1.177  -1.181  -0.064  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -2.341  -0.356  -0.419  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -3.450  -0.390   0.417  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -3.434  -1.311   1.561  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -2.305  -2.089   1.699  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -2.274  -2.726   2.489  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -4.387  -1.383   2.328  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -4.549   0.423   0.148  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -4.506   1.256  -0.963  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.546   2.058  -1.223  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -3.403   1.272  -1.819  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -2.318   0.425  -1.581  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -1.193   0.459  -2.426  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1       -1.434   0.715  -3.383  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -1.177  -2.015   0.933  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.367  -0.748  -2.341  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        4.609  -0.040   0.664  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        3.635   1.045   0.750  0.00  0.00    -0.305 NA
ATOM     20  C   LIG    1        3.140   1.460  -0.564  0.00  0.00    +0.084 C 
ATOM     21  C   LIG    1        2.176   0.465  -1.216  0.00  0.00    +0.019 C 
ATOM     22  C   LIG    1        0.994   0.109  -0.295  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        1.535  -0.297   1.092  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1        2.524   0.729   1.652  0.00  0.00    +0.084 C 
ENDBRANCH   1  22
TORSDOF 1