REMARK  Name = BDB064032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.814  -2.113   0.542  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.592  -3.445   0.492  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.260  -4.183   0.618  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.712  -3.664   0.183  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.288  -4.722   0.034  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.246  -2.281   0.069  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.533  -2.033  -0.207  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.230  -1.380   0.303  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.158  -0.706  -0.325  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        2.489   0.385  -0.902  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.157   1.617  -1.005  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.472   1.784  -0.568  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        5.000   3.054  -0.735  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        4.097   3.831  -1.289  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.142   0.678  -0.010  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        2.584   3.113  -1.643  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.482  -0.553   0.100  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -2.067  -1.668   0.824  0.00  0.00    -0.305 N 
ATOM     19  H   LIG    1       -2.628  -2.318   1.369  0.00  0.00    +0.149 HD
BRANCH  18  22
ATOM     20  C   LIG    1       -2.190   0.271  -1.327  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.662   0.686   0.071  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -2.280  -0.275   1.234  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1       -3.521  -0.223   2.136  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -3.657  -0.798   3.205  0.00  0.00    -0.274 OA
ATOM     25  N   LIG    1       -4.519   0.480   1.497  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1       -5.460   0.447   1.871  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1       -4.196   0.711   0.123  0.00  0.00    +0.113 C 
ATOM     28  C   LIG    1       -2.104   2.093   0.372  0.00  0.00    +0.015 C 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3