BKB79F
-OEChem-04022105012D
38 40 0 0 0 0 0 0 0999 V2000
5.5443 1.0053 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1900 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 1.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 2.6147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4379 1.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5202 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2105 0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2105 2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5202 3.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 0.7319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7356 0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7356 3.2866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0453 2.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7479 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7369 3.2040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 17 1 0 0 0 0
2 18 1 0 0 0 0
2 20 1 0 0 0 0
3 21 1 0 0 0 0
3 38 1 0 0 0 0
4 21 2 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 14 1 0 0 0 0
6 16 1 0 0 0 0
6 19 2 0 0 0 0
7 18 2 0 0 0 0
7 19 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 13 1 0 0 0 0
8 22 1 0 0 0 0
9 11 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 34 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
19 35 1 0 0 0 0
20 21 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
M END
$$$$