REMARK  Name = BDB064823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.777  -0.676  -1.878  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -3.803  -0.387  -1.192  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.565  -1.023   0.000  0.00  0.00    -0.253 N 
ATOM      4  H   LIG    1       -4.305  -1.647   0.297  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.740  -0.588   1.014  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1       -2.912  -1.000   2.159  0.00  0.00    -0.271 OA
ATOM      7  C   LIG    1       -1.623   0.372   0.598  0.00  0.00    +0.220 C 
ATOM      8  O   LIG    1       -1.175   1.125   1.733  0.00  0.00    -0.377 OA
ATOM      9  N   LIG    1        0.233   1.259   1.663  0.00  0.00    -0.088 NA
ATOM     10  C   LIG    1        0.647   0.410   0.783  0.00  0.00    +0.093 C 
ATOM     11  C   LIG    1       -0.408  -0.423   0.148  0.00  0.00    +0.119 C 
ATOM     12  C   LIG    1       -2.175   1.358  -0.433  0.00  0.00    +0.070 C 
ATOM     13  C   LIG    1       -2.788   0.643  -1.626  0.00  0.00    +0.100 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.068   0.184   0.493  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.691   0.571  -0.698  0.00  0.00    +0.022 A 
ATOM     16  I   LIG    1        1.725   1.629  -2.222  0.00  0.00    -0.043 I 
ATOM     17  C   LIG    1        4.049   0.284  -0.885  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.776  -0.373   0.112  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.155  -0.740   1.304  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.804  -0.459   1.498  0.00  0.00    +0.011 A 
ENDBRANCH  10  14
TORSDOF 1