REMARK  Name = BDB012424
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.159  -0.801  -0.213  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1       -0.800  -0.922  -0.163  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1        0.335  -0.303   0.543  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1        1.476  -1.048  -0.110  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        1.009  -1.922  -1.139  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        1.628  -2.660  -1.887  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -0.412  -1.794  -1.131  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.573  -2.205  -1.764  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1       -1.722  -3.145  -2.898  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1       -2.642  -1.599  -1.218  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        2.814  -0.913   0.274  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.841  -1.444  -0.420  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.170  -1.294  -0.044  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1        6.193  -1.901  -0.884  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1        5.556  -0.570   1.084  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1        6.724  -0.407   1.427  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        4.426   0.005   1.875  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1        4.791   0.880   3.314  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1        3.157  -0.172   1.480  0.00  0.00    +0.050 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1        0.406   1.202   0.329  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1        0.247   2.075   1.420  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        0.298   3.461   1.240  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        0.505   3.989  -0.031  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        0.567   5.693  -0.249  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        0.662   3.144  -1.125  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        0.613   1.758  -0.947  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  28
ATOM     27  C   LIG    1       -4.267   0.388   0.212  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1       -3.025  -0.081   0.644  0.00  0.00    +0.127 A 
ATOM     29  C   LIG    1       -2.667   0.148   1.979  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1       -3.539   0.833   2.822  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.744   1.265   2.304  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1       -5.121   1.062   1.026  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1       -5.967   0.604  -1.391  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1       -4.607   0.288  -1.118  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4