REMARK  Name = BDB019743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.040   1.542   1.367  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.572   1.404   2.612  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.097   0.899   3.661  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.902   1.776   2.804  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.644   2.286   1.738  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.054   2.438   0.476  0.00  0.00    -0.029 A 
ATOM      7  C   LIG    1       -0.710   2.065   0.302  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.999   1.491   0.062  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.450   1.145   1.104  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1        2.075   0.366   2.051  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        1.546   0.045   2.854  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.367  -0.233   1.813  0.00  0.00    +0.140 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.212  -1.631   1.267  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        2.923  -1.828  -0.094  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.740  -3.116  -0.608  0.00  0.00    +0.060 A 
ATOM     16 CL   LIG    1        2.379  -3.267  -2.292  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        2.847  -4.223   0.239  0.00  0.00    +0.059 A 
ATOM     18 CL   LIG    1        2.637  -5.844  -0.321  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        3.129  -4.035   1.596  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        3.306  -2.747   2.108  0.00  0.00    +0.007 A 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -2.862   2.922  -0.707  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.541   1.812  -1.350  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -4.178   1.339  -0.716  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.890   0.885  -2.086  0.00  0.00    +0.176 C 
ATOM     25  N   LIG    1       -1.935   1.311  -2.950  0.00  0.00    -0.316 N 
ATOM     26  H   LIG    1       -2.194   2.148  -3.456  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -1.583   0.178  -3.781  0.00  0.00    +0.127 C 
ATOM     28  C   LIG    1       -2.174  -0.987  -2.982  0.00  0.00    +0.163 C 
ATOM     29  N   LIG    1       -3.151  -0.388  -2.029  0.00  0.00    -0.255 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6