B9O1WU
-OEChem-04022106472D
34 36 0 0 0 0 0 0 0999 V2000
7.7122 0.6653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4964 2.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.0665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2177 1.6359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0486 0.0267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2395 1.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6244 2.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 0.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6190 2.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0366 3.3585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0257 3.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4434 4.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4379 4.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1775 -0.5797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9834 2.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4200 3.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6423 3.6323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0790 4.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -2.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6901 4.9429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -4.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 8 2 0 0 0 0
3 17 1 0 0 0 0
3 33 1 0 0 0 0
4 21 1 0 0 0 0
4 34 1 0 0 0 0
5 8 1 0 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 10 1 0 0 0 0
6 23 1 0 0 0 0
7 8 1 0 0 0 0
7 11 2 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
11 12 1 0 0 0 0
11 24 1 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 18 1 0 0 0 0
13 25 1 0 0 0 0
14 19 2 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 27 1 0 0 0 0
16 20 2 0 0 0 0
16 28 1 0 0 0 0
17 21 2 0 0 0 0
18 22 2 0 0 0 0
18 29 1 0 0 0 0
19 22 1 0 0 0 0
19 30 1 0 0 0 0
20 21 1 0 0 0 0
20 31 1 0 0 0 0
22 32 1 0 0 0 0
M END
$$$$