REMARK  Name = BDB032674
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.606  -1.331   0.594  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        1.610  -1.614   1.926  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.338  -1.996   2.317  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -0.411  -1.947   1.211  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.338  -1.516   0.099  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        3.922  -1.866  -0.107  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.882  -0.914   0.030  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        3.085   0.423  -0.394  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1        4.333   0.769  -0.947  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        5.351  -0.172  -1.079  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.148  -1.485  -0.662  0.00  0.00    +0.046 A 
BRANCH   8  12
ATOM     12  C   LIG    1        2.061   1.479  -0.265  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        1.611   1.903   0.996  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        0.667   2.926   1.114  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        0.167   3.548  -0.027  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        0.599   3.140  -1.286  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.536   2.112  -1.404  0.00  0.00    +0.008 A 
ENDBRANCH   8  12
BRANCH   6  19
ATOM     18  C   LIG    1        4.683  -4.103   0.286  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        3.635  -3.144   0.309  0.00  0.00    -0.494 OA
ENDBRANCH   6  19
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1       -1.741  -2.314   1.279  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1       -2.118  -2.530   2.198  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -2.880  -2.038   0.094  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1       -4.135  -2.586   0.577  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -2.328  -2.510  -1.158  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.050  -0.266   0.106  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -2.845   0.512  -1.044  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1       -3.036   1.899  -0.960  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1       -3.410   2.504   0.242  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -3.605   1.730   1.379  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -3.450   0.344   1.308  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -2.476  -0.120  -2.195  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -2.231   0.658  -3.358  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1       -3.613  -0.400   2.450  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -4.973  -0.392   2.891  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 8