B67FMY
-OEChem-04022105272D
34 36 0 0 0 0 0 0 0999 V2000
3.0000 2.1144 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3564 -1.9064 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.8212 -0.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.8856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 -2.4734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -3.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.1144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -3.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -1.2373 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
3.0000 -0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 -2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 -2.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 -1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 -2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 -1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 -2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 -0.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 -3.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0480 -0.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9150 -2.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5369 3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 9 1 0 0 0 0
1 13 1 0 0 0 0
4 11 1 0 0 0 0
5 11 2 0 0 0 0
6 7 1 0 0 0 0
6 12 1 0 0 0 0
6 14 1 0 0 0 0
7 10 2 0 0 0 0
8 10 1 0 0 0 0
8 14 2 0 0 0 0
9 33 1 0 0 0 0
9 34 1 0 0 0 0
11 22 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 15 1 0 0 0 0
15 20 2 0 0 0 0
15 21 1 0 0 0 0
16 18 1 0 0 0 0
16 25 1 0 0 0 0
17 19 2 0 0 0 0
17 26 1 0 0 0 0
18 27 1 0 0 0 0
19 28 1 0 0 0 0
20 23 1 0 0 0 0
20 29 1 0 0 0 0
21 24 2 0 0 0 0
21 30 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
M CHG 2 4 -1 11 1
M END
$$$$