REMARK  Name = BDB046728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.945   1.421   2.739  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.627   2.371   2.925  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.601   1.161   1.503  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.503   0.100   1.389  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -3.064  -0.116   0.148  0.00  0.00    +0.071 A 
ATOM      6  N   LIG    1       -3.977  -1.091  -0.274  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -4.248  -0.907  -1.647  0.00  0.00    +0.330 A 
ATOM      8  N   LIG    1       -3.478   0.207  -2.051  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -3.439   0.755  -3.375  0.00  0.00    +0.154 C 
ATOM     10  O   LIG    1       -4.994  -1.575  -2.345  0.00  0.00    -0.246 OA
ATOM     11  C   LIG    1       -4.536  -2.117   0.559  0.00  0.00    +0.154 C 
ATOM     12  C   LIG    1       -2.756   0.687  -0.953  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -1.874   1.742  -0.858  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -1.291   1.977   0.393  0.00  0.00    +0.026 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1        0.123   0.269   3.368  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1       -0.591  -0.967   3.603  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1        0.846   0.934   4.431  0.00  0.00    -0.150 OA
BRANCH  15  21
ATOM     18  C   LIG    1        3.060  -0.395  -0.083  0.00  0.00    -0.045 A 
ATOM     19  C   LIG    1        3.241   0.669   0.817  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.349   0.871   1.872  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        1.260   0.010   2.026  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        1.075  -1.066   1.156  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        1.969  -1.260   0.102  0.00  0.00    +0.006 A 
BRANCH  18  25
ATOM     24  C   LIG    1        4.027   0.549  -2.212  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        4.019  -0.632  -1.238  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        5.433  -0.940  -0.742  0.00  0.00    +0.012 C 
ENDBRANCH  18  25
ENDBRANCH  15  21
ENDBRANCH   1  15
TORSDOF 4