D0D7MN
-OEChem-10101305022D
41 45 0 0 0 0 0 0 0999 V2000
4.6660 -3.2673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -1.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -3.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4260 -3.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6221 1.7396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4141 2.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3321 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6140 2.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5161 3.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -0.6127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4188 -3.9219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0887 1.4234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 -1.4344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9546 3.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -3.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8678 -3.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0759 3.0891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5185 3.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
2 7 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 7 1 0 0 0 0
4 9 1 0 0 0 0
4 12 2 0 0 0 0
5 8 1 0 0 0 0
5 13 2 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 14 2 0 0 0 0
8 16 2 0 0 0 0
9 15 2 0 0 0 0
10 11 1 0 0 0 0
10 17 2 0 0 0 0
11 18 1 0 0 0 0
11 22 2 0 0 0 0
12 21 1 0 0 0 0
12 27 1 0 0 0 0
13 20 1 0 0 0 0
13 28 1 0 0 0 0
14 19 1 0 0 0 0
14 29 1 0 0 0 0
15 24 1 0 0 0 0
15 30 1 0 0 0 0
16 23 1 0 0 0 0
16 31 1 0 0 0 0
17 25 1 0 0 0 0
17 32 1 0 0 0 0
18 19 2 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 24 2 0 0 0 0
21 35 1 0 0 0 0
22 26 1 0 0 0 0
22 37 1 0 0 0 0
23 39 1 0 0 0 0
24 38 1 0 0 0 0
25 26 2 0 0 0 0
25 40 1 0 0 0 0
26 41 1 0 0 0 0
M END
$$$$