B8FWA5
-OEChem-04022105232D
37 39 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
7.6132 1.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.7306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 2.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 3.2694 0.0000 N 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
3.0000 -1.2694 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
3.8660 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
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
4.7601 2.0094 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
5.5032 2.6785 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
6.4543 2.3695 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
6.6622 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3564 1.7514 0.0000 C 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
4.4030 -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
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
5.3743 3.2849 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
6.9150 2.7843 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
8.7712 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8171 2.1663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9415 2.2122 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 10 1 0 0 0 0
1 17 1 0 0 0 0
4 22 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
5 11 1 0 0 0 0
6 8 2 0 0 0 0
7 8 1 0 0 0 0
7 11 2 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 16 1 0 0 0 0
12 14 1 0 0 0 0
12 24 1 0 0 0 0
13 15 2 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 18 2 0 0 0 0
16 19 1 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
18 20 1 0 0 0 0
18 31 1 0 0 0 0
19 21 2 0 0 0 0
19 32 1 0 0 0 0
20 22 2 0 0 0 0
20 33 1 0 0 0 0
21 22 1 0 0 0 0
21 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$