REMARK  Name = BDB033942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.199   1.144   1.271  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.727   3.344   1.923  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.200   2.123   2.293  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1       -0.606   1.711   3.128  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.690   3.778   0.778  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -1.892   5.448   2.682  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -1.339   4.094   3.090  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.962   0.134   1.167  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -1.014  -0.583  -0.002  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.368  -0.362  -0.762  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.746  -0.048   2.100  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.073  -1.534  -0.311  0.00  0.00    +0.083 C 
ATOM     13  C   LIG    1       -3.341  -0.799  -0.749  0.00  0.00    +0.029 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -1.585  -2.536  -1.383  0.00  0.00    +0.099 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -1.077  -1.883  -2.597  0.00  0.00    -0.328 NA
ATOM     16  H   LIG    1       -0.776  -2.599  -3.257  0.00  0.00    +0.118 HD
ATOM     17  H   LIG    1       -1.834  -1.376  -3.055  0.00  0.00    +0.118 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        1.487   0.429   1.690  0.00  0.00    +0.094 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.044  -0.445   0.606  0.00  0.00    +0.082 A 
ATOM     20  S   LIG    1        2.937  -1.854   1.008  0.00  0.00    -0.072 S 
ATOM     21  C   LIG    1        3.132  -2.211  -0.665  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        2.505  -1.216  -1.416  0.00  0.00    +0.079 A 
ATOM     23  C   LIG    1        2.536  -1.303  -2.823  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.189  -2.377  -3.438  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        3.805  -3.355  -2.664  0.00  0.00    +0.042 A 
ATOM     26 CL   LIG    1        4.601  -4.671  -3.441  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1        3.792  -3.295  -1.269  0.00  0.00    +0.037 A 
ATOM     28  N   LIG    1        1.894  -0.216  -0.680  0.00  0.00    -0.244 NA
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8