REMARK  Name = BDB032611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.386  -2.141   1.631  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.227  -2.150   2.636  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -1.777   0.603  -0.168  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1       -1.873   0.977   1.140  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -1.375  -0.030   1.951  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1       -0.966  -0.990   1.121  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1       -1.202  -0.646  -0.224  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1       -3.326   2.426  -0.976  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -2.226   1.562  -1.174  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -1.530   1.618  -2.397  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -1.902   2.516  -3.397  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.979   3.369  -3.192  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.689   3.324  -1.990  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.059   3.219   0.473  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -4.003   2.306   0.210  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  S   LIG    1        0.728  -3.057   0.781  0.00  0.00    +0.081 S 
ATOM     17  O   LIG    1        0.077  -3.510  -0.431  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        1.287  -4.027   1.701  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.017  -1.890   0.398  0.00  0.00    +0.191 A 
ATOM     20  C   LIG    1        2.428  -1.664  -0.920  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1        3.418  -0.717  -1.194  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        4.026  -0.022  -0.154  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        3.636  -0.258   1.165  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        2.628  -1.187   1.456  0.00  0.00    +0.150 A 
BRANCH  20  25
ATOM     25  O   LIG    1        1.845  -2.265  -2.001  0.00  0.00    -0.493 OA
ATOM     26  C   LIG    1        2.583  -3.427  -2.389  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
BRANCH  24  27
ATOM     27  O   LIG    1        2.180  -1.443   2.726  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1        2.792  -0.750   3.808  0.00  0.00    +0.277 C 
ENDBRANCH  24  27
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7