REMARK  Name = BDB037164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.832  -1.473   0.090  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.085  -1.720   0.738  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.653  -0.364  -0.748  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.493   0.053  -1.527  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.673   0.299  -0.547  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.458  -0.228   0.433  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.660   0.361   0.625  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        3.106   1.472  -0.090  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        2.263   1.985  -1.087  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        1.026   1.392  -1.323  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.469  -0.113   1.635  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.145  -1.436   2.050  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.462   2.078   0.160  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.424   1.665  -0.853  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.938   0.417  -0.837  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.774   0.405  -1.878  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.807   1.637  -2.554  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.928   2.438  -1.863  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.131  -2.502   0.073  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -1.906  -3.425   1.167  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.278  -2.961  -1.291  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.771  -1.689   0.008  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.501  -1.478   0.544  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.293  -0.436   1.463  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1       -4.348   0.414   1.833  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -5.623   0.182   1.297  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1       -5.834  -0.867   0.399  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.113   1.528   2.825  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -5.069   2.496   2.791  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -4.077   1.078   4.109  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -2.928   2.167   2.619  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1       -5.289  -2.360  -2.139  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -5.032  -2.764  -0.793  0.00  0.00    -0.493 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8