REMARK  Name = BDB028624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.340   0.290   0.939  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.834   0.029   0.185  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.197   1.272  -0.297  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.308   1.514  -1.100  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.087   0.396  -1.440  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        2.742  -0.885  -0.958  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.304   2.201   0.134  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.620  -1.093  -0.135  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.667   1.585   0.905  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.056  -0.692   1.609  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.806  -1.663   1.431  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.591  -0.484   2.233  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.493   0.517   3.275  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.078  -1.815   2.546  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.501  -0.579  -0.354  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.558   0.103   0.871  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.388   1.222   0.990  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.135   1.662  -0.111  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.034   1.011  -1.339  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.213  -0.107  -1.462  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.494  -2.870  -0.632  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.703  -1.684  -0.512  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.597   1.844   2.189  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.946   3.116   2.231  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.221  -2.306   0.360  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.191  -3.349   0.348  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.316   0.571  -2.306  0.00  0.00    +0.202 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.527   0.644  -1.502  0.00  0.00    -0.179 N 
ATOM     29  N   LIG    1        6.214  -0.473  -1.161  0.00  0.00    -0.160 NA
ATOM     30  C   LIG    1        7.223   0.045  -0.454  0.00  0.00    +0.156 A 
ATOM     31  C   LIG    1        7.113   1.441  -0.416  0.00  0.00    +0.156 A 
ATOM     32  N   LIG    1        6.033   1.831  -1.099  0.00  0.00    -0.160 NA
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8