REMARK  Name = BDB016391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.376   2.618   0.205  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.694   1.119   0.171  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.448   0.388   0.336  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.653   0.877  -0.072  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.395  -0.990   0.045  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.503  -1.871   0.095  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.325  -3.231  -0.234  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.077  -3.752  -0.552  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.029  -2.918  -0.537  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.834  -1.556   0.443  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.516  -2.299   0.347  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.419  -0.448   0.960  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.634  -0.480   1.179  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.102  -1.550  -0.233  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.618   0.762   1.313  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.133  -0.737  -0.226  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1        1.660  -0.239   0.972  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.828   0.531   0.976  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.506   0.823  -0.216  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        2.980   0.325  -1.416  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        1.809  -0.445  -1.419  0.00  0.00    +0.009 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.723   1.630  -0.164  0.00  0.00    +0.179 A 
ATOM     23  N   LIG    1        5.552   1.904  -1.220  0.00  0.00    -0.239 N 
ATOM     24  H   LIG    1        5.491   1.615  -2.186  0.00  0.00    +0.192 HD
ATOM     25  N   LIG    1        6.577   2.670  -0.829  0.00  0.00    -0.046 NA
ATOM     26  N   LIG    1        6.385   2.865   0.465  0.00  0.00    -0.023 NA
ATOM     27  N   LIG    1        5.246   2.228   0.892  0.00  0.00    -0.108 NA
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2