B12AYW
-OEChem-04022107032D
49 53 0 0 0 0 0 0 0999 V2000
2.2123 -2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8914 -3.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9397 -2.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4811 1.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 0.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8830 3.2552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8753 1.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6151 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4811 -1.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8780 -1.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2832 -2.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3471 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2719 -2.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3471 0.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4811 0.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8499 -1.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6882 -3.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8830 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2356 -2.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6576 -3.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2410 -1.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2410 0.7899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1471 -0.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1471 0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0170 3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7490 3.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0112 0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1384 0.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5370 0.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3596 1.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9611 2.3378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6038 -0.7196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2724 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6710 1.6726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9474 -3.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2339 -1.8994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2339 1.4098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6828 -1.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4101 -3.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 -3.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3270 4.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4800 4.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7070 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0590 3.2183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2860 4.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4390 4.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 27 1 0 0 0 0
2 22 1 0 0 0 0
2 27 1 0 0 0 0
3 14 2 0 0 0 0
4 17 2 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
5 17 1 0 0 0 0
6 20 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 30 3 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
10 12 1 0 0 0 0
10 18 2 0 0 0 0
11 16 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 14 1 0 0 0 0
12 19 2 0 0 0 0
13 15 2 0 0 0 0
13 23 1 0 0 0 0
15 17 1 0 0 0 0
15 24 1 0 0 0 0
16 20 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
18 21 1 0 0 0 0
18 35 1 0 0 0 0
19 22 1 0 0 0 0
19 38 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
21 22 2 0 0 0 0
23 25 2 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
26 30 1 0 0 0 0
27 42 1 0 0 0 0
27 43 1 0 0 0 0
28 44 1 0 0 0 0
28 45 1 0 0 0 0
28 46 1 0 0 0 0
29 47 1 0 0 0 0
29 48 1 0 0 0 0
29 49 1 0 0 0 0
M END
$$$$