REMARK  Name = BDB060622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.919  -0.343   0.093  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.274   0.976   0.184  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.595   1.639   0.042  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -2.169   3.117  -0.062  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -0.794   3.224   0.500  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1        0.082   4.223  -0.130  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -0.775   5.397  -0.630  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -1.757   5.018  -1.614  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -2.182   3.647  -1.512  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.284   1.901   0.423  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        1.001   1.579   0.549  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.284   0.268   0.452  0.00  0.00    +0.166 A 
ATOM     13  N   LIG    1        0.369  -0.700   0.239  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.389  -2.538  -2.203  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -1.447  -2.447  -0.998  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.908  -1.317  -0.141  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -2.490  -1.749   1.152  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -3.363  -2.997   0.955  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -2.667  -4.121   0.398  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -1.414  -3.774  -0.210  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.701  -0.127   0.572  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.169  -1.440   0.798  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.557  -1.673   0.864  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        5.445  -0.622   0.723  0.00  0.00    +0.117 A 
ATOM     25  N   LIG    1        5.038   0.635   0.533  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        3.698   0.849   0.462  0.00  0.00    +0.125 A 
BRANCH  22  27
ATOM     27  C   LIG    1        2.251  -2.625   0.965  0.00  0.00    +0.372 C 
ATOM     28  F   LIG    1        1.772  -3.089  -0.225  0.00  0.00    -0.204 F 
ATOM     29  F   LIG    1        2.881  -3.702   1.528  0.00  0.00    -0.204 F 
ENDBRANCH  22  27
BRANCH  24  30
ATOM     30  N   LIG    1        6.816  -0.829   0.814  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        7.264   0.067   0.639  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.133  -1.542   0.168  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  12  21
TORSDOF 4