B6VRJ1
-OEChem-04012112402D
37 39 0 0 0 0 0 0 0999 V2000
3.6756 -3.0784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.2888 0.2733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6756 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6756 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8666 1.5094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.0784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4846 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4356 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1756 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5416 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8096 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1756 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5416 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8096 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1788 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6436 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -4.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1298 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5946 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3378 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2769 1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5400 2.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0785 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2726 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0785 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2726 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0499 2.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1828 -0.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0556 -4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 -4.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2956 -4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5906 1.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7235 -0.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 10 1 0 0 0 0
1 20 1 0 0 0 0
2 23 1 0 0 0 0
5 7 1 0 0 0 0
5 15 1 0 0 0 0
5 25 1 0 0 0 0
6 24 3 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 16 2 0 0 0 0
10 17 1 0 0 0 0
11 18 2 0 0 0 0
11 19 1 0 0 0 0
12 15 2 0 0 0 0
12 26 1 0 0 0 0
13 16 1 0 0 0 0
13 27 1 0 0 0 0
14 17 2 0 0 0 0
14 28 1 0 0 0 0
15 24 1 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
18 21 1 0 0 0 0
18 31 1 0 0 0 0
19 22 2 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 2 0 0 0 0
21 36 1 0 0 0 0
22 23 1 0 0 0 0
22 37 1 0 0 0 0
M END
$$$$