REMARK  Name = BDB018776
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -5.138  -0.120  -0.928  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -4.113  -1.135  -0.529  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -2.952  -0.356   0.110  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -3.025  -0.400   1.638  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -4.055  -0.642   2.263  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -1.890  -0.030   2.314  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -1.988   0.076   3.316  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.635   0.117   1.719  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -0.454  -0.272   0.390  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        0.812  -0.147  -0.196  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        1.897   0.372   0.530  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1        1.686   0.754   1.865  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.429   0.619   2.462  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -1.598  -0.910  -0.350  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -3.183   1.085  -0.371  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -4.698   1.203  -0.429  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        3.219   0.511  -0.085  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1        3.937  -0.634  -0.501  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        5.190  -0.481  -1.089  0.00  0.00    +0.066 A 
ATOM     20  N   LIG    1        5.616  -1.752  -1.375  0.00  0.00    -0.277 N 
ATOM     21  H   LIG    1        6.489  -2.027  -1.810  0.00  0.00    +0.189 HD
ATOM     22  N   LIG    1        4.751  -2.717  -1.018  0.00  0.00    -0.181 NA
ATOM     23  C   LIG    1        5.792   0.763  -1.293  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.081   1.890  -0.874  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        3.736  -2.036  -0.480  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        3.822   1.769  -0.282  0.00  0.00    +0.009 A 
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  N   LIG    1       -7.519  -0.690  -1.420  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1       -6.416  -0.426  -1.187  0.00  0.00    +0.169 C 
ENDBRANCH   1  28
TORSDOF 2