REMARK  Name = BDB033620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190  -0.098  -0.922  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.342  -0.303  -0.118  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.905   0.955  -0.025  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1        3.071   1.248   0.674  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        3.689   0.169   1.318  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        3.135  -1.122   1.258  0.00  0.00    +0.061 A 
ATOM      7  O   LIG    1        1.141   1.843  -0.713  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.964  -1.388   0.528  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.059   1.184  -1.272  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.694  -1.108  -1.271  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.591  -2.015  -0.820  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.167  -0.859  -2.016  0.00  0.00    +0.082 S 
ATOM     13  O   LIG    1       -2.880  -2.120  -1.911  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.892  -0.295  -3.320  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.107   0.037   0.395  0.00  0.00    +0.154 A 
ATOM     16  C   LIG    1       -3.010   0.277  -0.977  0.00  0.00    +0.211 A 
ATOM     17  C   LIG    1       -3.613   1.415  -1.477  0.00  0.00    +0.246 A 
ATOM     18  N   LIG    1       -4.256   2.314  -0.684  0.00  0.00    -0.216 NA
ATOM     19  C   LIG    1       -4.292   2.093   0.648  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.977   3.119   1.499  0.00  0.00    +0.066 C 
ATOM     21  C   LIG    1       -3.731   0.966   1.226  0.00  0.00    +0.071 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -3.532  -1.995   1.409  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -2.534  -1.073   0.961  0.00  0.00    -0.493 OA
ENDBRANCH  15  23
BRANCH  17  24
ATOM     24  O   LIG    1       -3.648   1.633  -2.832  0.00  0.00    -0.478 OA
ATOM     25  C   LIG    1       -4.073   2.939  -3.202  0.00  0.00    +0.279 C 
ENDBRANCH  17  24
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.367  -2.617   0.421  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        2.203  -3.743   0.672  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  S   LIG    1        5.176   0.463   2.267  0.00  0.00    -0.063 S 
BRANCH  28  29
ATOM     29  C   LIG    1        6.367  -0.038   1.078  0.00  0.00    +0.139 A 
ATOM     30  S   LIG    1        7.923   0.684   0.999  0.00  0.00    -0.069 S 
ATOM     31  C   LIG    1        8.323  -0.350  -0.308  0.00  0.00    +0.067 A 
ATOM     32  C   LIG    1        7.257  -1.177  -0.587  0.00  0.00    +0.120 A 
ATOM     33  N   LIG    1        6.143  -1.004   0.212  0.00  0.00    -0.241 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8