REMARK  Name = BDB033991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.332  -0.660   0.498  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.097  -3.066  -0.116  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.727  -1.991   0.658  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        0.183  -2.033   1.124  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -2.037  -3.035  -0.903  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -0.653  -5.471  -0.729  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.227  -4.285   0.117  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -2.753  -0.638   1.096  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.547   0.576   0.706  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1       -5.157   0.748   1.284  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -5.305   2.241   0.442  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1       -4.106   2.507  -0.221  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -3.999   3.689  -0.983  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -5.086   4.567  -1.060  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -6.269   4.276  -0.389  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1       -7.594   5.370  -0.497  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -6.405   3.113   0.373  0.00  0.00    +0.037 A 
ATOM     18  N   LIG    1       -3.113   1.557  -0.055  0.00  0.00    -0.244 NA
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1       -0.431   0.414   1.162  0.00  0.00    +0.126 C 
BRANCH  19  20
ATOM     20  N   LIG    1        0.860   0.569   0.499  0.00  0.00    -0.313 N 
ATOM     21  H   LIG    1        0.914   1.236  -0.260  0.00  0.00    +0.149 HD
ATOM     22  C   LIG    1        1.908  -0.303   0.694  0.00  0.00    +0.216 C 
ATOM     23  O   LIG    1        1.818  -1.275   1.440  0.00  0.00    -0.276 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.153   0.028  -0.129  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1        3.742   1.383   0.276  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        4.903   1.796  -0.632  0.00  0.00    +0.001 C 
ATOM     27  C   LIG    1        5.674   0.613  -1.218  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1        5.646  -0.591  -0.288  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1        4.219  -1.080  -0.025  0.00  0.00    +0.013 C 
ENDBRANCH  22  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7