B2UI8R
-OEChem-04012117132D
35 37 0 0 0 0 0 0 0999 V2000
3.3987 -2.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 1.0823 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3987 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3987 -2.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 2.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 3.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 2.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1588 2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8987 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9019 2.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3667 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8530 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3177 0.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0609 1.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 0.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 -1.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 3.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7730 3.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9059 0.6163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7787 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -3.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0187 -3.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3137 2.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4466 0.1157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 10 1 0 0 0 0
1 19 1 0 0 0 0
2 22 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 27 1 0 0 0 0
6 16 2 0 0 0 0
7 8 1 0 0 0 0
7 9 2 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 13 1 0 0 0 0
9 16 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
11 14 1 0 0 0 0
11 23 1 0 0 0 0
12 15 2 0 0 0 0
12 24 1 0 0 0 0
13 17 2 0 0 0 0
13 18 1 0 0 0 0
14 25 1 0 0 0 0
15 26 1 0 0 0 0
16 28 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
19 32 1 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 22 1 0 0 0 0
21 35 1 0 0 0 0
M END
$$$$