REMARK  Name = BDB051884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.521   0.025  -1.009  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.616  -0.217  -2.051  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.430  -1.132  -1.903  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.597  -1.829  -0.703  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        0.301  -1.593   0.344  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.349  -0.679   0.189  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.575   0.932  -1.239  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1        2.248   1.793  -1.674  0.00  0.00    +0.155 HD
BRANCH   7  15
ATOM      9 CL   LIG    1        9.011  -0.098   2.377  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1        7.647   0.567   1.569  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1        6.633  -0.274   1.114  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        5.578   0.376   0.477  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1        5.547   1.756   0.306  0.00  0.00    +0.180 A 
ATOM     14  N   LIG    1        4.420   2.151  -0.357  0.00  0.00    -0.195 NA
ATOM     15  C   LIG    1        3.738   1.049  -0.568  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        6.527   2.578   0.743  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        4.419  -0.052  -0.110  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        4.109  -1.004  -0.226  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        7.549   1.941   1.365  0.00  0.00    +0.133 A 
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1       -1.746  -2.798  -0.531  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.888  -2.246   0.334  0.00  0.00    +0.107 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.531  -1.112  -0.323  0.00  0.00    -0.328 N 
ATOM     23  H   LIG    1       -2.884  -0.396  -0.646  0.00  0.00    +0.147 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.586  -0.533   0.389  0.00  0.00    +0.136 A 
ATOM     25  C   LIG    1       -4.939   0.815   0.228  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1       -6.007   1.332   0.953  0.00  0.00    +0.083 A 
ATOM     27  C   LIG    1       -6.229   2.714   0.675  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1       -5.337   3.215  -0.245  0.00  0.00    +0.048 A 
ATOM     29  N   LIG    1       -6.735   0.587   1.819  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1       -6.333  -0.683   1.906  0.00  0.00    +0.223 A 
ATOM     31  S   LIG    1       -4.231   2.026  -0.775  0.00  0.00    -0.092 S 
ATOM     32  N   LIG    1       -5.317  -1.269   1.255  0.00  0.00    -0.220 NA
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 6