REMARK  Name = BDB016188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.691   0.752   2.104  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.782   1.391   0.720  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.773   0.877  -0.192  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.841   1.176   0.099  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.762  -0.431  -0.696  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.864  -1.315  -0.729  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.698  -2.618  -1.249  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.494  -3.047  -1.795  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.424  -2.171  -1.843  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.174  -1.068  -0.274  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.811  -1.856  -0.265  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.814   0.055   0.130  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.991  -0.042   0.489  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.550  -0.875  -1.316  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.146   1.388   0.077  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.627   0.013  -1.440  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        1.719  -0.199  -0.681  0.00  0.00    +0.082 C 
BRANCH  16  18
ATOM     18  C   LIG    1        0.569   1.168  -2.385  0.00  0.00    +0.111 C 
ATOM     19  N   LIG    1        1.518   2.033  -2.559  0.00  0.00    -0.307 NA
ATOM     20  H   LIG    1        1.215   2.719  -3.264  0.00  0.00    +0.186 HD
ENDBRANCH  16  18
BRANCH  17  21
ATOM     21  N   LIG    1        2.869   0.550  -0.672  0.00  0.00    -0.319 N 
ATOM     22  H   LIG    1        2.836   1.339  -1.333  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.034   0.415   0.090  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.090   1.317  -0.081  0.00  0.00    +0.133 A 
ATOM     25  N   LIG    1        6.266   1.290   0.595  0.00  0.00    -0.261 NA
ATOM     26  C   LIG    1        6.410   0.303   1.500  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        5.437  -0.648   1.756  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        4.240  -0.586   1.040  0.00  0.00    +0.026 A 
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH  14  16
TORSDOF 4