B3VR6Z
-OEChem-04012118082D
35 36 0 1 0 0 0 0 0999 V2000
5.6808 3.1012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7320 0.3988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 0.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0132 1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6378 3.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5956 1.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6823 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 11 1 0 0 0 0
2 7 2 0 0 0 0
3 7 1 0 0 0 0
3 8 1 0 0 0 0
3 10 1 0 0 0 0
6 4 1 1 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
5 6 1 0 0 0 0
5 9 1 0 0 0 0
5 12 1 6 0 0 0
5 18 1 0 0 0 0
6 7 1 0 0 0 0
6 19 1 0 0 0 0
8 11 1 0 0 0 0
8 20 1 0 0 0 0
8 21 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 22 1 0 0 0 0
10 23 1 0 0 0 0
11 24 1 0 0 0 0
11 25 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
12 28 1 0 0 0 0
13 15 1 0 0 0 0
13 31 1 0 0 0 0
14 16 2 0 0 0 0
14 32 1 0 0 0 0
15 17 2 0 0 0 0
15 33 1 0 0 0 0
16 17 1 0 0 0 0
16 34 1 0 0 0 0
17 35 1 0 0 0 0
M END
$$$$