B2J9LD
-OEChem-04022100172D
34 35 0 1 0 0 0 0 0999 V2000
4.0981 3.7694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4071 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7891 2.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 3.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7171 2.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9735 3.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -0.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2227 3.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4791 2.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7045 3.8983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0333 4.3860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 1 0 0 0 0
1 12 1 0 0 0 0
2 10 2 0 0 0 0
3 8 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
6 4 1 6 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
5 16 2 0 0 0 0
5 17 1 0 0 0 0
6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 18 1 0 0 0 0
7 10 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 12 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
9 13 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
11 25 1 0 0 0 0
11 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
14 31 1 0 0 0 0
15 17 2 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
M END
$$$$