REMARK  Name = BDB042516
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.366   0.007  -0.301  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        2.998  -1.417  -0.258  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.470  -1.601  -0.184  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        0.747  -0.914  -1.259  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.557  -1.188  -1.635  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1       -1.104  -0.599  -2.569  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        1.467   0.177  -1.923  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1        2.425   0.925  -0.976  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        6.130   2.254   0.795  0.00  0.00    +0.054 A 
ATOM     10  C   LIG    1        4.866   1.798   0.388  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.621   0.446   0.093  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        5.710  -0.431   0.233  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        6.976   0.010   0.636  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        7.188   1.355   0.918  0.00  0.00    +0.019 A 
BRANCH   9  16
ATOM     15  N   LIG    1        6.495   4.766   1.330  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        6.330   3.642   1.091  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   5  17
ATOM     17  C   LIG    1       -1.287  -2.264  -0.845  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.778  -2.355  -1.187  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.597  -1.236  -0.585  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.449   0.015  -1.139  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -2.795   0.143  -1.915  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.106   1.156  -0.728  0.00  0.00    +0.259 A 
ATOM     23  O   LIG    1       -3.898   2.236  -1.265  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.061   0.988   0.394  0.00  0.00    +0.082 A 
ATOM     25  C   LIG    1       -5.224  -0.290   0.954  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1       -6.122  -0.471   2.014  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -6.851   0.613   2.511  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.684   1.879   1.951  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.792   2.063   0.896  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -5.666   3.298   0.392  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -4.456  -1.423   0.430  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 5