REMARK  Name = BDB016149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.593   2.424  -1.845  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        3.192   1.313  -0.977  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1        2.170   0.299  -0.771  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.233   0.698  -0.728  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        2.341  -0.671   0.239  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        3.593  -1.111   0.735  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.632  -2.080   1.760  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1        2.476  -2.663   2.263  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.248  -2.295   1.740  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1        4.875  -0.687   0.325  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        5.663  -1.055   0.845  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1        5.312   0.093  -0.694  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        6.528   0.272  -0.809  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        1.158  -1.321   0.728  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.364   0.677  -1.689  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.190  -0.999   0.215  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -1.101  -0.277   1.006  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -2.358   0.010   0.491  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1       -3.508   0.762   1.121  0.00  0.00    +0.068 C 
ATOM     20  C   LIG    1       -4.578   0.706   0.003  0.00  0.00    +0.230 C 
ATOM     21  N   LIG    1       -4.023   0.004  -1.070  0.00  0.00    -0.273 N 
ATOM     22  C   LIG    1       -4.707  -0.265  -2.306  0.00  0.00    +0.138 C 
ATOM     23  O   LIG    1       -5.698   1.192   0.059  0.00  0.00    -0.274 OA
ATOM     24  C   LIG    1       -4.033   0.053   2.369  0.00  0.00    +0.025 C 
ATOM     25  C   LIG    1       -3.143   2.217   1.409  0.00  0.00    +0.025 C 
ATOM     26  C   LIG    1       -2.718  -0.409  -0.790  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -1.848  -1.121  -1.592  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -0.580  -1.415  -1.080  0.00  0.00    +0.010 A 
ENDBRANCH  14  16
TORSDOF 1