REMARK  Name = BDB011682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.196  -0.557  -0.361  0.00  0.00    +0.152 A 
ATOM      2  C   LIG    1        0.479  -2.008  -0.377  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -0.582  -2.914  -0.555  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -0.364  -4.295  -0.564  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.928  -4.773  -0.400  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1        1.999  -3.902  -0.233  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1        1.150  -6.093  -0.408  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -1.954  -2.390  -0.756  0.00  0.00    +0.257 A 
ATOM      9  O   LIG    1       -2.914  -3.136  -0.907  0.00  0.00    -0.267 OA
ATOM     10  N   LIG    1       -2.090  -1.023  -0.774  0.00  0.00    -0.319 N 
ATOM     11  H   LIG    1       -3.026  -0.683  -0.958  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        1.777  -2.522  -0.223  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -1.062  -0.125  -0.597  0.00  0.00    +0.092 A 
ENDROOT
BRANCH  13  14
ATOM     14  C   LIG    1       -1.418   1.306  -0.665  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.795   2.161  -1.587  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -1.141   3.514  -1.648  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.116   4.019  -0.790  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.541   5.684  -0.864  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -2.748   3.183   0.128  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.402   1.830   0.189  0.00  0.00    +0.011 A 
ENDBRANCH  13  14
BRANCH   1  21
ATOM     21  O   LIG    1        1.279   0.281  -0.182  0.00  0.00    -0.488 OA
BRANCH  21  22
ATOM     22  C   LIG    1        1.401   0.695   1.187  0.00  0.00    +0.244 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.632   1.599   1.306  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  N   LIG    1        2.865   2.089   2.663  0.00  0.00    -0.327 NA
ATOM     25  H   LIG    1        2.061   2.630   2.979  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        2.956   1.305   3.308  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 5