BREA34
-OEChem-04012115042D
41 43 0 1 0 0 0 0 0999 V2000
2.5381 1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 -1.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 1.2327 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 -0.2673 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.9343 0.2327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.0682 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3083 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2644 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4668 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6697 2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1103 1.1957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3372 2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4903 2.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4482 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6882 -1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 -0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3154 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2634 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 -0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0693 0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5744 -1.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8013 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9544 -0.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 38 1 0 0 0 0
2 20 1 0 0 0 0
2 21 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 11 1 0 0 0 0
5 9 1 0 0 0 0
5 22 1 0 0 0 0
6 8 1 0 0 0 0
6 23 1 0 0 0 0
6 24 1 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
8 13 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 17 2 0 0 0 0
12 31 1 0 0 0 0
13 16 2 0 0 0 0
13 32 1 0 0 0 0
14 18 1 0 0 0 0
14 33 1 0 0 0 0
15 19 2 0 0 0 0
15 34 1 0 0 0 0
16 17 1 0 0 0 0
17 35 1 0 0 0 0
18 20 2 0 0 0 0
18 36 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
21 39 1 0 0 0 0
21 40 1 0 0 0 0
21 41 1 0 0 0 0
M END
$$$$