REMARK  Name = BDB012429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.848  -4.423   0.617  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1       -2.510  -3.221  -0.177  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.446  -2.339  -0.011  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.292  -2.043   0.779  0.00  0.00    +0.255 C 
ATOM      5  N   LIG    1        0.280  -0.866   0.194  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.536  -0.373  -0.974  0.00  0.00    +0.161 C 
ATOM      7  O   LIG    1        0.079  -2.711   1.729  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -1.574  -1.412  -0.994  0.00  0.00    +0.076 A 
ATOM      9  N   LIG    1       -2.670  -1.727  -1.711  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -3.239  -1.036  -2.839  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1       -3.269  -2.848  -1.231  0.00  0.00    -0.176 NA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        1.479  -0.275   0.606  0.00  0.00    +0.054 A 
ATOM     13  C   LIG    1        2.135  -0.634   1.727  0.00  0.00    +0.112 A 
ATOM     14  N   LIG    1        3.316  -0.032   2.136  0.00  0.00    -0.316 N 
ATOM     15  C   LIG    1        3.929  -0.494   3.373  0.00  0.00    +0.152 C 
ATOM     16  C   LIG    1        3.917   1.001   1.426  0.00  0.00    +0.254 A 
ATOM     17  O   LIG    1        4.952   1.569   1.766  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1        3.221   1.405   0.166  0.00  0.00    +0.016 A 
ATOM     19  C   LIG    1        3.862   2.495  -0.633  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1        2.084   0.784  -0.191  0.00  0.00    +0.033 A 
ENDBRANCH   5  12
BRANCH   6  21
ATOM     21  C   LIG    1       -1.121   1.017  -0.789  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -1.133   1.916  -1.871  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.681   3.194  -1.731  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.227   3.584  -0.511  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -2.902   5.157  -0.342  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -2.233   2.707   0.570  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -1.686   1.429   0.431  0.00  0.00    +0.007 A 
ENDBRANCH   6  21
TORSDOF 2