REMARK  Name = BDB016324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.899   2.985   0.146  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.272   1.500   0.201  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.058   0.720   0.009  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.242   1.180   0.441  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.055  -0.647   0.355  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1       -3.187  -1.494   0.323  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.049  -2.853   0.682  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.819  -3.408   1.024  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.687  -2.611   0.999  0.00  0.00    +0.015 A 
ATOM     10  N   LIG    1       -4.506  -1.144  -0.034  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.212  -1.863   0.073  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.062  -0.022  -0.555  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.277  -0.029  -0.775  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.798  -1.257   0.645  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1       -4.235   1.168  -0.917  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.454  -0.444   0.642  0.00  0.00    +0.250 C 
ATOM     17  N   LIG    1        1.509  -1.021  -0.043  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1        1.305  -1.865  -0.562  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        0.441   0.646   1.203  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1        2.817  -0.511  -0.184  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        3.273   0.647   0.454  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1        4.581   1.036   0.238  0.00  0.00    +0.168 A 
ATOM     23  O   LIG    1        5.182   2.131   0.779  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1        6.502   2.027   0.208  0.00  0.00    +0.466 C 
ATOM     25  O   LIG    1        6.668   0.877  -0.648  0.00  0.00    -0.453 OA
ATOM     26  C   LIG    1        5.429   0.324  -0.574  0.00  0.00    +0.166 A 
ATOM     27  C   LIG    1        5.019  -0.822  -1.216  0.00  0.00    +0.051 A 
ATOM     28  C   LIG    1        3.699  -1.240  -1.015  0.00  0.00    +0.027 A 
ENDBRANCH  17  20
ENDBRANCH  14  16
TORSDOF 2