L8O4JS
-OEChem-05022321572D
28 27 0 1 0 0 0 0 0999 V2000
6.8671 0.2035 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0
8.5991 0.2035 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.3671 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0991 1.0695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0991 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.7035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.2965 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3671 1.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.2035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6025 -0.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3996 -0.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 0.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 0.6785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -0.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9040 1.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0571 1.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8301 0.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -1.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 0.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7891 1.6065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 9 2 0 0 0 0
1 11 1 0 0 0 0
1 14 1 6 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 8 2 0 0 0 0
2 9 1 0 0 0 0
4 15 1 0 0 0 0
4 26 1 0 0 0 0
5 27 1 0 0 0 0
6 28 1 0 0 0 0
7 15 2 0 0 0 0
13 10 1 6 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 12 1 0 0 0 0
11 16 1 0 0 0 0
11 17 1 0 0 0 0
12 13 1 0 0 0 0
12 18 1 0 0 0 0
12 19 1 0 0 0 0
13 15 1 0 0 0 0
13 20 1 0 0 0 0
14 21 1 0 0 0 0
14 22 1 0 0 0 0
14 23 1 0 0 0 0
M END
$$$$