D00SEC
-OEChem-10191521382D
40 42 0 0 0 0 0 0 0999 V2000
9.2619 -1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.2049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 1.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 2.0499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9639 2.7942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -1.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -2.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5359 0.0631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3715 0.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7742 1.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9385 0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1787 1.7579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0143 2.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -2.7942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4254 3.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5498 3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5024 2.3802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -2.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 -2.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0719 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.2102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2249 -2.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0719 -2.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2988 -1.9562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
1 21 1 0 0 0 0
2 7 1 0 0 0 0
2 10 1 0 0 0 0
2 28 1 0 0 0 0
3 9 2 0 0 0 0
3 18 1 0 0 0 0
4 10 2 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
5 9 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 12 1 0 0 0 0
8 11 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
11 13 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 16 1 0 0 0 0
14 32 1 0 0 0 0
15 17 2 0 0 0 0
15 33 1 0 0 0 0
16 20 2 0 0 0 0
16 34 1 0 0 0 0
17 20 1 0 0 0 0
17 35 1 0 0 0 0
18 19 2 0 0 0 0
18 36 1 0 0 0 0
19 37 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
M END
$$$$