D0I1XT
-OEChem-10101305032D
33 34 0 0 0 0 0 0 0999 V2000
5.4641 3.0950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4641 3.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -1.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -0.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.2150 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 5 1 0 0 0 0
1 7 1 0 0 0 0
4 8 1 0 0 0 0
4 14 2 0 0 0 0
5 27 1 0 0 0 0
5 28 1 0 0 0 0
6 8 1 0 0 0 0
6 9 2 0 0 0 0
6 10 1 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 11 1 0 0 0 0
9 22 1 0 0 0 0
10 12 2 0 0 0 0
10 23 1 0 0 0 0
11 24 1 0 0 0 0
12 25 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 29 1 0 0 0 0
16 18 2 0 0 0 0
16 30 1 0 0 0 0
17 19 2 0 0 0 0
17 31 1 0 0 0 0
18 19 1 0 0 0 0
18 32 1 0 0 0 0
19 33 1 0 0 0 0
M END
$$$$