REMARK  Name = BDB060387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.083  -1.203  -0.401  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        0.227  -0.025  -0.106  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1       -0.805   0.893   0.033  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.533   1.864   0.018  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.448   0.588   0.138  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        1.405   1.470   0.627  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.193   0.636  -0.023  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -2.738  -0.653  -0.038  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -4.136  -0.784  -0.085  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -4.997   0.315  -0.112  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1       -6.351   0.001  -0.156  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1       -6.555  -1.305  -0.164  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1       -4.435   1.604  -0.088  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1       -5.136  -2.187  -0.120  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1       -3.041   1.750  -0.042  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  C   LIG    1        2.733   0.025  -0.015  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        2.981  -1.197  -0.647  0.00  0.00    +0.044 A 
ATOM     18  C   LIG    1        4.290  -1.684  -0.770  0.00  0.00    +0.061 A 
ATOM     19 CL   LIG    1        4.513  -3.203  -1.566  0.00  0.00    -0.082 Cl
ATOM     20  C   LIG    1        5.363  -0.946  -0.262  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1        7.000  -1.482  -0.377  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1        5.122   0.278   0.363  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.816   0.762   0.482  0.00  0.00    +0.025 A 
ENDBRANCH   5  16
TORSDOF 2