REMARK  Name = BDB021016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006   0.565   0.818  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.284   0.408   0.280  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.323  -0.119   1.075  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.704  -0.429   0.918  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.225  -0.983   2.022  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        3.205  -0.982   2.895  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        3.413  -1.494   4.229  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.030  -0.484   2.389  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        0.760  -0.321   2.958  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -0.248   0.218   2.150  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -6.700  -1.621   0.120  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -5.301  -1.432   0.649  0.00  0.00    +0.213 C 
ATOM     13  N   LIG    1       -4.463  -0.572  -0.050  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.077  -0.503   0.419  0.00  0.00    +0.163 C 
ATOM     15  C   LIG    1       -2.341   0.644  -0.177  0.00  0.00    +0.064 A 
ATOM     16  N   LIG    1       -2.890   1.470  -1.129  0.00  0.00    -0.328 N 
ATOM     17  C   LIG    1       -1.952   2.389  -1.514  0.00  0.00    +0.108 A 
ATOM     18  N   LIG    1       -0.820   2.175  -0.877  0.00  0.00    -0.232 NA
ATOM     19  C   LIG    1       -2.196   3.456  -2.515  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1       -4.245   1.325  -1.616  0.00  0.00    +0.142 C 
ATOM     21  C   LIG    1       -1.048   1.113  -0.030  0.00  0.00    +0.094 A 
ATOM     22  C   LIG    1       -4.725  -0.108  -1.416  0.00  0.00    +0.129 C 
ATOM     23  O   LIG    1       -4.944  -2.019   1.671  0.00  0.00    -0.276 OA
ENDBRANCH   1  21
BRANCH   4  24
ATOM     24  C   LIG    1        4.518  -0.221  -0.276  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        5.689  -0.864  -0.616  0.00  0.00    +0.118 A 
ATOM     26  N   LIG    1        6.086  -0.323  -1.801  0.00  0.00    -0.274 N 
ATOM     27  C   LIG    1        7.260  -0.670  -2.563  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        5.260   0.638  -2.257  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        4.313   0.708  -1.313  0.00  0.00    +0.144 A 
ENDBRANCH   4  24
TORSDOF 2