REMARK  Name = BDB002032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.955   0.474  -2.001  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.240   1.625  -2.340  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        1.092   1.754  -1.942  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        1.724   0.730  -1.219  0.00  0.00    -0.032 A 
ATOM      5  C   LIG    1        1.003  -0.434  -0.909  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -0.331  -0.565  -1.303  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -6.686  -0.366   1.172  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1       -5.596  -0.209   0.341  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -4.454   0.645   0.669  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1       -3.168   0.215  -0.052  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1       -3.344   0.074  -1.504  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1       -2.359   0.346  -2.449  0.00  0.00    +0.247 C 
ATOM     13  O   LIG    1       -2.595   0.485  -3.647  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -4.710  -0.151  -1.985  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1       -5.585  -0.878  -0.959  0.00  0.00    +0.130 C 
ATOM     16  O   LIG    1       -7.639  -1.091   0.915  0.00  0.00    -0.226 OA
BRANCH   7  17
ATOM     17  O   LIG    1       -6.583   0.383   2.303  0.00  0.00    -0.451 OA
BRANCH  17  19
ATOM     18  C   LIG    1       -8.770   1.271   2.848  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -7.679   0.285   3.224  0.00  0.00    +0.230 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   4  20
ATOM     20  C   LIG    1        3.170   0.877  -0.808  0.00  0.00    +0.141 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.042   0.902  -1.974  0.00  0.00    -0.186 NA
ATOM     22  H   LIG    1        3.868   0.242  -2.729  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  S   LIG    1        5.633   1.378  -1.797  0.00  0.00    +0.059 S 
ATOM     24  O   LIG    1        5.640   2.667  -1.141  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        6.279   1.163  -3.072  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  C   LIG    1        6.273   0.174  -0.659  0.00  0.00    +0.105 A 
ATOM     27  C   LIG    1        6.541  -1.118  -1.113  0.00  0.00    +0.032 A 
ATOM     28  C   LIG    1        7.040  -2.066  -0.218  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1        7.283  -1.729   1.118  0.00  0.00    +0.120 A 
ATOM     30  C   LIG    1        7.025  -0.428   1.558  0.00  0.00    +0.047 A 
ATOM     31  C   LIG    1        6.523   0.528   0.669  0.00  0.00    +0.032 A 
BRANCH  29  32
ATOM     32  O   LIG    1        7.768  -2.754   1.882  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1        8.103  -2.451   3.231  0.00  0.00    +0.277 C 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8