D0I4TO
-OEChem-10101305022D
37 39 0 1 0 0 0 0 0999 V2000
4.3260 -2.0857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.0021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.0021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9440 -2.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7610 0.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7610 3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6350 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6350 -3.0368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 1.4813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.4770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 -0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8015 -0.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5337 -1.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7538 0.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7538 3.6567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9994 -3.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2706 -3.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2028 1.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2028 2.8350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 18 1 0 0 0 0
4 2 1 6 0 0 0
2 8 1 0 0 0 0
3 7 1 0 0 0 0
3 33 1 0 0 0 0
3 34 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 21 1 0 0 0 0
5 7 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 11 2 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 9 1 0 0 0 0
8 12 2 0 0 0 0
9 10 1 0 0 0 0
9 13 2 0 0 0 0
10 14 1 0 0 0 0
10 16 2 0 0 0 0
11 17 1 0 0 0 0
11 26 1 0 0 0 0
12 15 1 0 0 0 0
12 27 1 0 0 0 0
13 19 1 0 0 0 0
13 28 1 0 0 0 0
14 15 2 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 20 1 0 0 0 0
16 31 1 0 0 0 0
17 18 2 0 0 0 0
17 32 1 0 0 0 0
18 35 1 0 0 0 0
19 20 2 0 0 0 0
19 36 1 0 0 0 0
20 37 1 0 0 0 0
M END
$$$$