BWX5H0
-OEChem-04012116072D
34 36 0 0 0 0 0 0 0999 V2000
4.1756 4.1369 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 -3.3324 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3666 -0.4509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1756 4.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 4.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 5.1369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6636 -4.7337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -4.8269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 0.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 3.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3096 1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0416 1.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3096 2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0416 2.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9846 -0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 -1.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4945 -3.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -3.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -4.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7726 1.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5785 1.3269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7726 2.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5785 2.9469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5742 -0.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0400 -1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4712 -2.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7125 5.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6386 5.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5348 -5.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -5.4469 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 12 1 0 0 0 0
2 21 1 0 0 0 0
2 23 1 0 0 0 0
3 11 1 0 0 0 0
3 15 1 0 0 0 0
6 22 2 0 0 0 0
7 31 1 0 0 0 0
7 32 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
8 33 1 0 0 0 0
9 23 2 0 0 0 0
9 34 1 0 0 0 0
10 11 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 18 2 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 16 1 0 0 0 0
13 24 1 0 0 0 0
14 17 2 0 0 0 0
14 25 1 0 0 0 0
15 19 2 0 0 0 0
15 20 1 0 0 0 0
16 26 1 0 0 0 0
17 27 1 0 0 0 0
18 19 1 0 0 0 0
18 28 1 0 0 0 0
19 29 1 0 0 0 0
20 21 2 0 0 0 0
20 30 1 0 0 0 0
21 22 1 0 0 0 0
M END
$$$$