REMARK  Name = BDB060022
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.053  -2.085  -2.216  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        3.949  -1.958  -1.174  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1        2.905  -1.084  -1.677  0.00  0.00    -0.314 N 
ATOM      4  H   LIG    1        2.559  -1.252  -2.616  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1        2.012  -0.479  -0.853  0.00  0.00    +0.186 C 
ATOM      6  N   LIG    1        2.259  -0.434   0.467  0.00  0.00    -0.242 N 
ATOM      7  C   LIG    1        1.188   0.112   1.100  0.00  0.00    +0.255 C 
ATOM      8  C   LIG    1        0.241   0.624  -0.018  0.00  0.00    +0.171 C 
ATOM      9  O   LIG    1        1.014   0.145   2.311  0.00  0.00    -0.272 OA
ATOM     10  C   LIG    1        3.335  -1.154   1.107  0.00  0.00    +0.118 C 
ATOM     11  N   LIG    1        0.911   0.061  -1.258  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        4.491  -1.383   0.140  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.205  -0.024   0.077  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -2.014   0.476   1.313  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -3.407  -0.176   1.381  0.00  0.00    -0.010 C 
ATOM     16  C   LIG    1       -3.254  -1.700   1.478  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -2.511  -2.229   0.244  0.00  0.00    -0.010 C 
ATOM     18  C   LIG    1       -3.297  -1.867  -1.024  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -3.450  -0.343  -1.126  0.00  0.00    -0.010 C 
ATOM     20  C   LIG    1       -4.194   0.178   0.111  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -1.117  -1.583   0.177  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -2.056   0.307  -1.191  0.00  0.00    +0.013 C 
ENDBRANCH   8  13
BRANCH   8  23
ATOM     23  C   LIG    1        0.244   2.164  -0.078  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        0.270   2.833  -1.316  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1        0.269   4.228  -1.388  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        0.241   4.986  -0.222  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        0.213   4.349   1.014  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        0.214   2.953   1.086  0.00  0.00    +0.006 A 
ENDBRANCH   8  23
TORSDOF 2