REMARK  Name = BDB010032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.227   3.062  -1.366  0.00  0.00    +0.219 C 
ATOM      2  N   LIG    1        0.448   1.922  -0.610  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.776   1.362  -0.642  0.00  0.00    +0.221 C 
ATOM      4  N   LIG    1        1.859   0.075   0.007  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1        3.131  -0.447   0.190  0.00  0.00    +0.219 C 
ATOM      6  O   LIG    1        4.141   0.205  -0.079  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.648  -0.708   0.008  0.00  0.00    +0.221 C 
ATOM      8  N   LIG    1       -0.489   0.036   0.498  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -1.648  -0.539   0.991  0.00  0.00    +0.219 C 
ATOM     10  O   LIG    1       -2.561   0.142   1.459  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -0.393   1.475   0.472  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1        1.097   3.518  -2.110  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -1.135   3.726  -1.250  0.00  0.00    +0.106 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.264   4.889  -2.228  0.00  0.00    +0.078 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.734   6.609  -0.617  0.00  0.00    +0.084 C 
ATOM     16  S   LIG    1       -2.919   5.657  -2.146  0.00  0.00    -0.164 S 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   5  17
ATOM     17  C   LIG    1        3.232  -1.858   0.744  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.684  -2.248   1.000  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  S   LIG    1        4.804  -3.929   1.703  0.00  0.00    -0.164 S 
ATOM     20  C   LIG    1        4.603  -4.901   0.189  0.00  0.00    +0.084 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
BRANCH   9  21
ATOM     21  C   LIG    1       -1.744  -2.054   0.933  0.00  0.00    +0.106 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.134  -2.533   1.337  0.00  0.00    +0.078 C 
BRANCH  22  23
ATOM     23  S   LIG    1       -3.213  -4.350   1.214  0.00  0.00    -0.164 S 
ATOM     24  C   LIG    1       -4.923  -4.580   1.756  0.00  0.00    +0.084 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 9