REMARK  Name = BDB016321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.089  -0.563  -1.198  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -2.287   0.019  -0.682  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -2.165   0.838   0.437  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.277   1.356   0.445  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -3.226   1.482   1.183  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -4.242   2.132   0.275  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -5.221   1.144  -0.271  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.794   0.046  -0.944  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -5.576  -0.456  -1.345  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -6.436   1.337  -0.169  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.800   0.532   2.233  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.501  -0.416  -1.257  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.488  -1.399  -2.272  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.303  -1.932  -2.768  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.097  -1.504  -2.241  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.072  -1.225  -0.337  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.671  -2.151  -0.408  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1        0.238  -0.163  -0.641  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1        0.464   1.030  -0.474  0.00  0.00    -0.270 OA
BRANCH  16  22
ATOM     20  C   LIG    1        4.424   0.004   0.823  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        3.109   0.021   0.328  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        2.391  -1.165   0.159  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        3.007  -2.381   0.482  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.315  -2.409   0.968  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.022  -1.221   1.137  0.00  0.00    +0.004 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.927   1.677  -0.289  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        5.190   1.293   0.985  0.00  0.00    +0.032 C 
ENDBRANCH  20  27
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 3