D05YXS
-OEChem-10101305032D
41 45 0 1 0 0 0 0 0999 V2000
2.2314 0.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1607 -0.7611 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.6897 -0.2855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5133 -0.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3370 -0.2855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -0.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2392 0.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3370 0.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 0.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 -1.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -2.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8418 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 2.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3377 -1.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0496 -0.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3760 1.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6796 0.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9476 0.5579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5490 1.2481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1840 0.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4989 1.0249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 -2.0222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -2.8077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 2.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3879 -1.9155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2957 -1.0709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 3.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.8322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -3.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 14 1 0 0 0 0
2 15 1 0 0 0 0
2 22 1 0 0 0 0
3 20 1 0 0 0 0
3 38 1 0 0 0 0
4 7 1 0 0 0 0
4 12 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 1 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 16 2 0 0 0 0
7 11 1 0 0 0 0
7 23 1 6 0 0 0
8 15 1 0 0 0 0
8 24 1 1 0 0 0
9 12 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 13 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
13 18 1 0 0 0 0
14 20 2 0 0 0 0
15 17 2 0 0 0 0
16 17 1 0 0 0 0
16 31 1 0 0 0 0
17 32 1 0 0 0 0
18 21 2 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
20 21 1 0 0 0 0
21 37 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$