B4A8KI
-OEChem-04012113132D
38 40 0 0 0 0 0 0 0999 V2000
3.0878 -2.9757 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0878 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 -2.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.0243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 1.6121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -3.9757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -1.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5910 1.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5421 1.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 0.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 4.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9522 3.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -0.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -0.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -1.7857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5950 -0.0899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4621 2.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1357 -0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0028 2.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3396 0.4934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5508 -4.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6247 -4.2857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9731 4.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6589 4.8521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8403 4.5379 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 7 1 0 0 0 0
1 12 1 0 0 0 0
2 17 1 0 0 0 0
2 23 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
6 17 2 0 0 0 0
7 34 1 0 0 0 0
7 35 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 18 2 0 0 0 0
10 19 1 0 0 0 0
11 17 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 15 1 0 0 0 0
13 25 1 0 0 0 0
14 16 2 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
18 20 1 0 0 0 0
18 29 1 0 0 0 0
19 21 2 0 0 0 0
19 30 1 0 0 0 0
20 22 2 0 0 0 0
20 31 1 0 0 0 0
21 22 1 0 0 0 0
21 32 1 0 0 0 0
22 33 1 0 0 0 0
23 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
M END
$$$$