BC6UH3
-OEChem-04012113092D
29 30 0 0 0 0 0 0 0999 V2000
3.3987 -2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3987 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3987 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 1.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8987 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3109 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7973 1.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 3.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7787 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0187 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8125 4.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9465 4.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8093 3.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
4 6 1 0 0 0 0
4 12 1 0 0 0 0
4 19 1 0 0 0 0
5 6 1 0 0 0 0
5 8 2 0 0 0 0
5 9 1 0 0 0 0
6 13 2 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 10 1 0 0 0 0
8 17 1 0 0 0 0
9 11 2 0 0 0 0
9 18 1 0 0 0 0
10 20 1 0 0 0 0
11 21 1 0 0 0 0
12 14 2 0 0 0 0
12 16 1 0 0 0 0
13 14 1 0 0 0 0
13 22 1 0 0 0 0
14 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
16 29 1 0 0 0 0
M END
$$$$