B8SGL7
-OEChem-04012112402D
40 42 0 0 0 0 0 0 0999 V2000
3.0000 -2.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5643 0.7733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8090 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7601 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9680 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4543 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6622 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 1.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5648 3.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8936 3.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6246 2.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8810 1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1064 3.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4352 3.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 0.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3743 3.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0480 0.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9150 2.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -3.2694 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 16 1 0 0 0 0
1 22 1 0 0 0 0
4 23 3 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 24 1 0 0 0 0
5 25 1 0 0 0 0
6 8 1 0 0 0 0
6 26 1 0 0 0 0
6 27 1 0 0 0 0
7 9 1 0 0 0 0
7 28 1 0 0 0 0
7 29 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
10 12 2 0 0 0 0
10 13 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 17 1 0 0 0 0
12 30 1 0 0 0 0
13 18 2 0 0 0 0
13 31 1 0 0 0 0
14 19 1 0 0 0 0
14 32 1 0 0 0 0
15 20 2 0 0 0 0
15 33 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
17 34 1 0 0 0 0
18 35 1 0 0 0 0
19 21 2 0 0 0 0
19 36 1 0 0 0 0
20 21 1 0 0 0 0
20 37 1 0 0 0 0
21 23 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$