REMARK  Name = BDB016929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.001  -0.553   0.536  0.00  0.00    -0.237 N 
ATOM      2  C   LIG    1       -0.148   0.664   0.616  0.00  0.00    +0.162 C 
ATOM      3  C   LIG    1        1.172   0.029   0.520  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.122  -1.318   0.376  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1        2.365  -1.848   0.262  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        3.189  -0.804   0.327  0.00  0.00    +0.135 A 
ATOM      7  N   LIG    1        2.476   0.381   0.479  0.00  0.00    -0.340 N 
ATOM      8  H   LIG    1        2.871   1.311   0.505  0.00  0.00    +0.167 HD
ATOM      9  C   LIG    1       -0.255  -1.757   0.376  0.00  0.00    +0.273 C 
ATOM     10  O   LIG    1       -0.623  -2.916   0.273  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  20
ATOM     11  C   LIG    1       -5.190   1.980   1.469  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1       -4.495   0.694   1.148  0.00  0.00    -0.016 A 
ATOM     13  C   LIG    1       -5.156  -0.528   0.979  0.00  0.00    +0.134 A 
ATOM     14  N   LIG    1       -6.476  -0.889   1.046  0.00  0.00    -0.128 NA
ATOM     15  N   LIG    1       -6.559  -2.196   0.805  0.00  0.00    -0.063 NA
ATOM     16  N   LIG    1       -5.304  -2.647   0.589  0.00  0.00    -0.230 N 
ATOM     17  C   LIG    1       -5.066  -4.033   0.302  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -4.389  -1.641   0.685  0.00  0.00    +0.180 A 
ATOM     19  N   LIG    1       -3.058  -1.707   0.533  0.00  0.00    -0.211 NA
ATOM     20  C   LIG    1       -2.410  -0.538   0.691  0.00  0.00    +0.131 A 
ATOM     21  C   LIG    1       -3.089   0.654   0.998  0.00  0.00    +0.049 A 
ENDBRANCH   1  20
BRANCH   2  22
ATOM     22  C   LIG    1       -0.364   1.678  -0.492  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.258   3.051  -0.205  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.436   4.005  -1.210  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -0.713   3.598  -2.512  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -0.930   4.776  -3.747  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.809   2.244  -2.820  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.632   1.288  -1.817  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1        4.615  -0.745   0.244  0.00  0.00    -0.005 C 
ATOM     30  C   LIG    1        5.474   0.449   0.608  0.00  0.00    +0.066 C 
ATOM     31  C   LIG    1        6.933   0.053   0.826  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1        7.388  -0.718  -0.282  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1        6.726  -1.984  -0.346  0.00  0.00    +0.187 C 
ATOM     34  C   LIG    1        5.241  -1.864  -0.177  0.00  0.00    +0.008 C 
ENDBRANCH   6  29
TORSDOF 3