REMARK  Name = BDB040792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.347   1.069  -0.127  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.150   0.276  -0.185  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1        0.580   1.471   0.456  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.823   1.929   0.898  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -5.361  -0.229  -0.646  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -5.059   0.937   0.059  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -6.050   1.667   0.592  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -3.744   1.369   0.235  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -2.676   0.634  -0.289  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -2.971  -0.531  -1.005  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.292  -0.950  -1.173  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -4.522  -2.082  -1.854  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1      -10.889  -0.499  -0.326  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -9.666  -0.538  -0.423  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -8.988   0.353  -1.214  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.556   1.035  -1.698  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.652   0.351  -1.540  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -7.228   1.119  -2.402  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.785  -0.697  -0.845  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -7.416  -1.129   0.484  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -8.839  -1.608   0.246  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        1.439   1.110   1.549  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1        0.970   0.732   2.366  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.691   0.647   1.380  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1        3.308   0.864   0.181  0.00  0.00    -0.409 OA
ATOM     26  C   LIG    1        4.526   0.266   0.374  0.00  0.00    +0.222 A 
ATOM     27  N   LIG    1        4.635  -0.272   1.572  0.00  0.00    -0.111 NA
ATOM     28  N   LIG    1        3.445  -0.022   2.222  0.00  0.00    -0.093 NA
BRANCH  26  29
ATOM     29  C   LIG    1        5.643   0.236  -0.714  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1        6.981   0.893  -0.278  0.00  0.00    +0.020 C 
ATOM     31  C   LIG    1        7.552  -0.499  -0.133  0.00  0.00    -0.028 C 
ATOM     32  C   LIG    1        7.911  -0.983   1.256  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        9.387  -0.708   0.873  0.00  0.00    +0.001 C 
ATOM     34  C   LIG    1        8.957  -0.765  -0.615  0.00  0.00    +0.007 C 
ATOM     35  C   LIG    1        6.384  -1.122  -0.851  0.00  0.00    +0.020 C 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 5