REMARK  Name = BDB028619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.268   0.327   1.032  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.398  -0.237   0.385  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.760   0.724  -0.539  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.834   0.608  -1.414  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.584  -0.579  -1.335  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.235  -1.578  -0.402  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.905   1.776  -0.453  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.145  -1.427   0.476  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.040   1.525   0.527  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.441  -0.313   2.036  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.158  -1.245   2.330  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -1.676   0.374   2.923  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -1.173   1.611   3.479  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.157  -0.688   3.787  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.654   1.863   1.671  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1       -2.950   0.663   1.724  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -3.236  -0.361   0.804  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -4.219  -0.188  -0.184  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -4.921   1.024  -0.220  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.650   2.034   0.706  0.00  0.00    +0.048 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.501  -1.305  -1.173  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -4.196  -0.872  -2.609  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1       -5.939  -1.817  -1.050  0.00  0.00    +0.012 C 
ENDBRANCH  18  21
BRANCH  15  25
ATOM     24  C   LIG    1       -2.767   3.954   2.052  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -3.481   2.845   2.604  0.00  0.00    -0.493 OA
ENDBRANCH  15  25
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  26
ATOM     26  O   LIG    1        1.738  -2.352   1.399  0.00  0.00    -0.494 OA
ATOM     27  C   LIG    1        2.631  -3.425   1.677  0.00  0.00    +0.277 C 
ENDBRANCH   8  26
BRANCH   5  28
ATOM     28  C   LIG    1        4.767  -0.776  -2.258  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.867   0.117  -1.920  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        6.070   1.240  -2.640  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        7.142   1.792  -2.068  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.634   1.024  -0.997  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.792  -0.061  -0.929  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8