D0S5BJ
-OEChem-10101305032D
38 42 0 1 0 0 0 0 0999 V2000
2.2314 -0.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1607 -1.2611 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.6897 -0.7855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5133 -1.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3370 -0.7855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2392 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6897 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3370 0.1655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 -0.0881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -2.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8418 -1.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 2.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0597 -1.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -1.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3760 0.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6795 0.1787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0496 -1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9476 0.0579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5490 0.7481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1840 0.0957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4989 0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 -2.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -3.3077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3879 -2.4155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.4471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2957 -1.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 1.9022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 2.6877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 15 1 0 0 0 0
2 16 2 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 18 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 1 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 14 1 0 0 0 0
6 22 1 1 0 0 0
7 11 1 0 0 0 0
7 23 1 6 0 0 0
8 12 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 16 1 0 0 0 0
9 26 1 1 0 0 0
10 13 2 0 0 0 0
10 15 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 19 1 0 0 0 0
14 17 2 0 0 0 0
14 31 1 0 0 0 0
15 20 2 0 0 0 0
16 17 1 0 0 0 0
17 32 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
18 35 1 0 0 0 0
19 21 2 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
M END
$$$$