B76KOQ
-OEChem-04022107512D
42 44 0 1 0 0 0 0 0999 V2000
4.3511 0.3253 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6299 -2.6103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.2479 -2.6103 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5421 -0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1602 0.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1200 1.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9389 -0.4837 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.5212 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1090 1.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4389 -2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2479 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9389 -0.4837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.6299 -1.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9389 -3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9389 -3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5267 0.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 1.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 1.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.8569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1810 1.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.7524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5579 -1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8143 -1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6574 0.0687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0635 -1.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3199 -1.9717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3325 -3.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0037 -4.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8741 -4.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5454 -3.6903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7734 -0.3456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7867 2.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5167 0.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8345 3.4233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5644 1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7256 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8568 1.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 3.9258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 4.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 3.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
1 17 1 0 0 0 0
2 10 1 0 0 0 0
2 14 1 0 0 0 0
3 10 1 0 0 0 0
3 15 1 0 0 0 0
6 16 2 0 0 0 0
7 12 1 0 0 0 0
7 13 1 0 0 0 0
8 9 1 0 0 0 0
8 16 1 0 0 0 0
8 33 1 0 0 0 0
9 38 1 0 0 0 0
9 39 1 0 0 0 0
10 11 1 0 0 0 0
10 13 1 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 16 1 6 0 0 0
12 26 1 0 0 0 0
13 27 1 0 0 0 0
13 28 1 0 0 0 0
14 15 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 34 1 0 0 0 0
19 21 2 0 0 0 0
19 35 1 0 0 0 0
20 22 2 0 0 0 0
20 36 1 0 0 0 0
21 22 1 0 0 0 0
21 37 1 0 0 0 0
22 23 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
M END
$$$$