REMARK  Name = BDB045868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.179  -0.336   0.420  0.00  0.00    +0.095 A 
ATOM      2  C   LIG    1        1.087  -1.672   0.757  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1        2.034  -2.822   0.687  0.00  0.00    +0.056 C 
ATOM      4  C   LIG    1        1.295  -4.162   0.720  0.00  0.00    +0.008 C 
ATOM      5  C   LIG    1        0.281  -4.181   1.863  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1       -0.764  -3.079   1.690  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1       -0.193  -1.821   1.242  0.00  0.00    -0.324 N 
ATOM      8  C   LIG    1       -0.846  -0.618   1.131  0.00  0.00    +0.182 A 
ATOM      9  N   LIG    1       -0.028   0.294   0.632  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.448   1.788  -1.317  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.690   0.863  -0.298  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        3.627   0.166   0.276  0.00  0.00    +0.133 A 
ATOM     13  F   LIG    1        3.908  -0.683   1.274  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        2.311   0.364  -0.155  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.077   1.307  -1.168  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        3.136   2.013  -1.750  0.00  0.00    +0.016 A 
BRANCH  10  18
ATOM     17  O   LIG    1        6.769   2.363  -1.575  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        5.605   2.508  -1.899  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        5.249   3.375  -2.863  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        6.099   3.772  -3.148  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   8  21
ATOM     21  C   LIG    1       -2.232  -0.354   1.473  0.00  0.00    +0.230 C 
ATOM     22  O   LIG    1       -3.031  -1.200   1.874  0.00  0.00    -0.283 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.715   1.031   1.316  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -3.098   1.490   0.034  0.00  0.00    -0.032 A 
ATOM     25  C   LIG    1       -3.528   2.827  -0.059  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.599   3.659   1.061  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.228   3.175   2.313  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -2.781   1.860   2.445  0.00  0.00    +0.052 A 
ATOM     29 CL   LIG    1       -2.308   1.324   4.019  0.00  0.00    -0.083 Cl
BRANCH  24  30
ATOM     30  C   LIG    1       -3.014   0.627  -1.209  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1       -4.171   0.565  -2.181  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -3.859  -0.622  -1.324  0.00  0.00    +0.009 C 
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6