REMARK  Name = BDB012437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.621  -0.436   1.070  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1       -1.310  -0.720   0.825  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.224  -0.253  -0.054  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1        0.904  -1.132   0.448  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.493  -1.925   1.560  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        1.109  -2.725   2.240  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.885  -1.607   1.762  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.963  -1.830   2.604  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -2.034  -2.692   3.805  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1       -3.011  -1.073   2.229  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.162  -1.168  -0.165  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1        2.433  -0.513  -1.312  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        3.674  -0.546  -1.929  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1        3.853   0.202  -3.164  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        4.746  -1.268  -1.416  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1        5.855  -1.329  -1.942  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1        4.479  -1.996  -0.139  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1        5.619  -2.764   0.449  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1        3.258  -1.927   0.420  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1        0.062   1.234   0.125  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -0.227   2.135  -0.914  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.008   3.504  -0.763  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.535   3.990   0.430  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.824   5.675   0.615  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.829   3.117   1.474  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.592   1.748   1.324  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1       -3.498   0.630  -0.979  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1       -3.545   0.389   0.389  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -4.593   0.971   1.117  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -5.496   1.815   0.480  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.331   2.038  -0.874  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1       -4.360   1.463  -1.614  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1       -2.869   0.021  -3.157  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1       -2.603  -0.069  -1.759  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4