REMARK  Name = BDB032675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.526   1.317   2.163  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.970   2.222   2.017  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -1.431   0.237   0.491  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -1.248   1.517   0.057  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.123   2.058   0.659  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1        0.371   1.090   1.431  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1       -0.415  -0.075   1.366  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1       -3.795   0.110  -0.390  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -2.564  -0.502  -0.062  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -2.419  -1.887  -0.266  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -3.459  -2.651  -0.796  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.663  -2.041  -1.126  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.832  -0.669  -0.923  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.112   2.107  -0.510  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.909   1.452  -0.132  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  S   LIG    1        2.628   0.109   2.531  0.00  0.00    +0.080 S 
ATOM     17  O   LIG    1        3.794   0.750   3.104  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.912  -0.911   3.268  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.103  -0.522   0.950  0.00  0.00    +0.185 A 
ATOM     20  C   LIG    1        3.523   0.351  -0.068  0.00  0.00    +0.149 A 
ATOM     21  C   LIG    1        3.881  -0.187  -1.311  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        3.824  -1.565  -1.536  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.411  -2.418  -0.517  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        3.054  -1.894   0.722  0.00  0.00    +0.154 A 
ATOM     25  F   LIG    1        2.672  -2.759   1.668  0.00  0.00    -0.203 F 
BRANCH  20  26
ATOM     26  O   LIG    1        3.559   1.688   0.224  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1        3.860   2.595  -0.832  0.00  0.00    +0.277 C 
ENDBRANCH  20  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6