REMARK  Name = BDB032645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.261  -2.626   1.118  0.00  0.00    +0.081 S 
ATOM      2  O   LIG    1       -0.795  -2.702   2.487  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.922  -3.767   0.510  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.885  -0.540   1.949  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.322  -1.231   0.872  0.00  0.00    +0.191 A 
ATOM      6  C   LIG    1       -2.613  -0.817  -0.436  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1       -3.401   0.318  -0.660  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.953   1.007   0.416  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -3.712   0.567   1.716  0.00  0.00    +0.048 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -1.889  -0.132   3.991  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -2.757  -0.981   3.236  0.00  0.00    -0.493 OA
ENDBRANCH   4  11
BRANCH   6  12
ATOM     12  O   LIG    1       -2.089  -1.477  -1.520  0.00  0.00    -0.493 OA
ATOM     13  C   LIG    1       -3.114  -2.180  -2.230  0.00  0.00    +0.277 C 
ENDBRANCH   6  12
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  N   LIG    1        0.078  -2.318   0.158  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1        0.091  -2.873  -0.691  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.850  -1.173   0.248  0.00  0.00    +0.181 A 
ATOM     17  N   LIG    1        0.734  -0.244   1.197  0.00  0.00    -0.061 NA
ATOM     18  O   LIG    1        1.678   0.721   0.901  0.00  0.00    -0.353 OA
ATOM     19  C   LIG    1        2.360   0.370  -0.227  0.00  0.00    +0.169 A 
ATOM     20  C   LIG    1        1.861  -0.832  -0.675  0.00  0.00    +0.097 A 
BRANCH  19  21
ATOM     21  C   LIG    1        3.398   1.291  -0.679  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        4.138   1.016  -1.840  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        5.135   1.892  -2.282  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.406   3.056  -1.569  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.683   3.346  -0.415  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.687   2.470   0.026  0.00  0.00    +0.011 A 
ENDBRANCH  19  21
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6