REMARK  Name = BDB049198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.181   0.474  -0.902  0.00  0.00    -0.337 N 
ATOM      2  H   LIG    1       -0.143   0.062  -1.780  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.569   0.372  -0.779  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.417  -0.049  -1.731  0.00  0.00    +0.129 A 
ATOM      5 CL   LIG    1        1.820  -0.548  -3.283  0.00  0.00    -0.076 Cl
ATOM      6  C   LIG    1        3.890  -0.136  -1.516  0.00  0.00    +0.287 A 
ATOM      7  O   LIG    1        4.644  -0.500  -2.417  0.00  0.00    -0.265 OA
ATOM      8  N   LIG    1        4.330   0.207  -0.242  0.00  0.00    -0.231 N 
ATOM      9  C   LIG    1        5.748   0.185   0.067  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        3.513   0.702   0.742  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1        2.249   0.775   0.479  0.00  0.00    +0.157 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1       -4.535   1.119   0.145  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -3.291   0.409   0.430  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -2.165   0.959  -0.330  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1       -0.810   0.386   0.177  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1       -0.950  -1.074   0.650  0.00  0.00    +0.025 C 
ATOM     17  C   LIG    1       -2.115  -1.767  -0.048  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -3.443  -1.037   0.203  0.00  0.00    +0.084 C 
ENDBRANCH   1  15
TORSDOF 2