REMARK  Name = BDB032627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.242   0.913  -0.427  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        1.184   1.337  -1.725  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.105   2.185  -1.899  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.489   2.261  -0.708  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.194   1.491   0.252  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.271  -1.341  -0.807  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1        3.218  -0.450  -1.087  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        2.339   0.004  -0.085  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        2.566  -0.449   1.227  0.00  0.00    +0.131 A 
ATOM     10  C   LIG    1        3.600  -1.349   1.515  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.455  -1.784   0.505  0.00  0.00    +0.009 A 
BRANCH   9  12
ATOM     12  O   LIG    1        1.737  -0.080   2.259  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        2.378   0.885   3.097  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
BRANCH   6  14
ATOM     14  C   LIG    1        5.202  -1.792  -1.908  0.00  0.00    +0.194 C 
BRANCH  14  16
ATOM     15  C   LIG    1        3.978  -3.550  -2.928  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1        4.489  -2.230  -3.065  0.00  0.00    -0.378 OA
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   8
BRANCH   4  17
ATOM     17  N   LIG    1       -1.625   3.036  -0.549  0.00  0.00    -0.197 N 
ATOM     18  H   LIG    1       -2.026   3.437  -1.394  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.720   2.837   0.701  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1       -3.836   3.726   0.437  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.980   2.959   1.940  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.299   1.174   0.454  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -3.142   0.175   1.425  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -3.628  -1.114   1.164  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.228  -1.418  -0.059  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.367  -0.430  -1.028  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -3.927   0.869  -0.765  0.00  0.00    +0.150 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -2.573   0.489   2.626  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -1.750  -0.518   3.209  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  27  30
ATOM     30  O   LIG    1       -4.032   1.817  -1.751  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -5.399   2.152  -2.009  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 9