REMARK  Name = BDB016222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.248   1.389   0.155  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        0.436   0.124  -0.363  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.405  -0.346  -0.683  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.129   2.110   0.614  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM      5  C   LIG    1       -2.371  -2.367   0.817  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -3.083  -1.058   0.489  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1       -2.112  -0.221  -0.141  0.00  0.00    -0.486 OA
ATOM      8  C   LIG    1       -2.324   1.125  -0.017  0.00  0.00    +0.154 A 
ATOM      9  C   LIG    1       -3.592   1.738  -0.056  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -3.676   3.135   0.090  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -2.539   3.919   0.256  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -1.288   3.316   0.269  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -4.837   1.105  -0.248  0.00  0.00    -0.282 N 
ATOM     14  H   LIG    1       -5.655   1.706  -0.258  0.00  0.00    +0.155 HD
ATOM     15  C   LIG    1       -5.203  -0.187  -0.445  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1       -6.401  -0.431  -0.613  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -1.161   1.924   0.123  0.00  0.00    +0.080 A 
ATOM     18  C   LIG    1       -4.192  -1.289  -0.510  0.00  0.00    +0.140 C 
ENDBRANCH   1  17
BRANCH   2  19
ATOM     19  C   LIG    1        1.633  -0.613  -0.467  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.885  -0.141  -0.063  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.042  -0.932  -0.195  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        3.916  -2.216  -0.744  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        2.671  -2.697  -1.151  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.537  -1.898  -1.012  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1        5.348  -0.440   0.226  0.00  0.00    +0.155 A 
ATOM     26  O   LIG    1        5.407   0.824   0.758  0.00  0.00    -0.442 OA
ATOM     27  C   LIG    1        6.721   1.004   1.052  0.00  0.00    +0.308 A 
ATOM     28  N   LIG    1        7.504  -0.009   0.763  0.00  0.00    -0.224 NA
ATOM     29  C   LIG    1        6.637  -0.934   0.236  0.00  0.00    +0.160 A 
ENDBRANCH  21  25
ENDBRANCH   2  19
TORSDOF 3