REMARK  Name = BDB006727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.363   0.898  -1.194  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -3.466  -0.186  -0.732  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1       -2.075  -0.172  -0.577  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -0.862   0.654  -0.727  0.00  0.00    +0.149 C 
ATOM      5  N   LIG    1        0.206  -0.312  -0.304  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.357  -1.572   0.080  0.00  0.00    +0.270 C 
ATOM      7  O   LIG    1        0.203  -2.584   0.467  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -1.748  -1.412  -0.123  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -2.885  -2.115  -0.008  0.00  0.00    -0.256 N 
ATOM     10  N   LIG    1       -3.969  -1.386  -0.375  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        1.568  -0.010  -0.315  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.514  -0.832   0.185  0.00  0.00    +0.118 A 
ATOM     13  N   LIG    1        3.853  -0.463   0.154  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        4.307   0.731  -0.373  0.00  0.00    +0.164 A 
ATOM     15  N   LIG    1        5.616   0.795  -0.257  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1        6.042  -0.362   0.352  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        3.346   1.635  -0.924  0.00  0.00    -0.004 A 
ATOM     18  C   LIG    1        3.747   2.955  -1.531  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1        4.986  -1.112   0.598  0.00  0.00    +0.135 A 
ATOM     20  C   LIG    1        4.982  -2.442   1.244  0.00  0.00    +0.088 C 
ATOM     21  C   LIG    1        2.043   1.261  -0.889  0.00  0.00    +0.032 A 
ENDBRANCH   5  11
BRANCH   4  22
ATOM     22  C   LIG    1       -1.063   1.861   0.162  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -0.962   1.802   1.560  0.00  0.00    +0.130 A 
ATOM     24  F   LIG    1       -0.678   0.643   2.170  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -1.156   2.927   2.357  0.00  0.00    +0.058 A 
ATOM     26  C   LIG    1       -1.463   4.142   1.757  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1       -1.707   5.539   2.729  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1       -1.578   4.235   0.371  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -1.381   3.101  -0.423  0.00  0.00    +0.010 A 
ENDBRANCH   4  22
BRANCH   9  30
ATOM     30  C   LIG    1       -2.982  -3.504   0.472  0.00  0.00    +0.108 C 
ATOM     31  C   LIG    1       -2.420  -4.665  -0.314  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1       -3.904  -4.516  -0.166  0.00  0.00    +0.029 C 
ENDBRANCH   9  30
TORSDOF 3