B8SJ6K
-OEChem-04022108232D
41 43 0 0 0 0 0 0 0999 V2000
4.0170 -0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7490 -0.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 0.9047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -2.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9820 1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7840 1.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0169 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7595 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0065 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 -0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2849 -1.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3830 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5365 0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7690 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9970 2.6358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5342 0.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7660 1.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2290 -2.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6275 -1.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5309 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -3.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7709 -3.0953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5949 -1.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7480 -1.2853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9749 -2.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1140 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6520 3.6539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 0.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3916 0.0155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1280 3.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7789 0.4943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9871 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 2.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3578 2.1182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 10 1 0 0 0 0
2 10 2 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 7 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 23 1 0 0 0 0
5 8 1 0 0 0 0
5 15 2 0 0 0 0
6 9 1 0 0 0 0
6 16 2 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 13 1 0 0 0 0
8 17 2 0 0 0 0
9 14 1 0 0 0 0
9 18 2 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 14 2 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
15 19 1 0 0 0 0
15 34 1 0 0 0 0
16 20 1 0 0 0 0
16 35 1 0 0 0 0
17 21 1 0 0 0 0
17 36 1 0 0 0 0
18 22 1 0 0 0 0
18 37 1 0 0 0 0
19 21 2 0 0 0 0
19 38 1 0 0 0 0
20 22 2 0 0 0 0
20 39 1 0 0 0 0
21 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$