B6KI1N
-OEChem-04012116072D
48 51 0 1 0 0 0 0 0999 V2000
9.8622 0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.2327 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.5321 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 -0.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 0.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 -2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 -2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 0.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 0.7423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9996 -2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 -2.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 -1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3297 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1267 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 -0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0573 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8632 -0.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4603 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8632 1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 19 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 8 1 0 0 0 0
3 5 1 0 0 0 0
3 26 1 0 0 0 0
3 27 1 0 0 0 0
4 6 1 0 0 0 0
4 28 1 0 0 0 0
4 29 1 0 0 0 0
5 7 1 0 0 0 0
5 30 1 0 0 0 0
5 31 1 0 0 0 0
6 7 1 0 0 0 0
6 10 2 0 0 0 0
7 11 2 0 0 0 0
8 9 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 12 1 0 0 0 0
10 34 1 0 0 0 0
11 13 1 0 0 0 0
11 35 1 0 0 0 0
12 13 2 0 0 0 0
12 36 1 0 0 0 0
13 37 1 0 0 0 0
14 16 1 0 0 0 0
14 38 1 0 0 0 0
15 17 2 0 0 0 0
15 39 1 0 0 0 0
16 18 2 0 0 0 0
16 40 1 0 0 0 0
17 18 1 0 0 0 0
17 41 1 0 0 0 0
19 20 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 44 1 0 0 0 0
22 24 2 0 0 0 0
22 45 1 0 0 0 0
23 25 2 0 0 0 0
23 46 1 0 0 0 0
24 25 1 0 0 0 0
24 47 1 0 0 0 0
25 48 1 0 0 0 0
M END
$$$$