REMARK  Name = BDB015449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.388   1.463  -0.891  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.518   1.409  -1.968  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.206   2.708  -2.052  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.335   3.561  -1.137  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.497   2.632  -0.339  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.607  -1.078   0.272  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.392  -0.355  -1.003  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -1.919  -0.366  -1.462  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.045   0.334  -0.491  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.578   0.328   0.890  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.439  -0.921   1.169  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.366  -1.672   1.922  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -4.874  -0.666   0.886  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.423   0.084  -2.482  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        2.369   0.554  -3.478  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.561  -1.036  -2.791  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.372  -0.348  -1.035  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        1.862  -1.278  -0.128  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1        2.620  -1.634   0.990  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.888  -1.084   1.198  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.402  -0.174   0.270  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        3.649   0.189  -0.851  0.00  0.00    +0.032 A 
BRANCH  20  23
ATOM     23  O   LIG    1        4.518  -1.519   2.331  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        5.824  -1.012   2.578  0.00  0.00    +0.277 C 
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5