B2BC7E
-OEChem-04012112572D
37 39 0 0 0 0 0 0 0999 V2000
3.0878 -2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0878 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0878 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.3261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 2.8649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0068 0.3177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8968 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2788 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9538 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2218 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8479 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5910 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0558 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5421 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6891 1.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4908 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6848 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 4.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 4.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 3.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4678 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 -4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7078 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4621 2.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5950 0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0028 2.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3396 0.7952 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 9 1 0 0 0 0
1 18 1 0 0 0 0
4 7 1 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
5 8 2 0 0 0 0
5 13 1 0 0 0 0
6 20 1 0 0 0 0
6 22 2 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 16 1 0 0 0 0
9 14 2 0 0 0 0
9 15 1 0 0 0 0
10 13 2 0 0 0 0
10 23 1 0 0 0 0
11 14 1 0 0 0 0
11 24 1 0 0 0 0
12 15 2 0 0 0 0
12 25 1 0 0 0 0
13 17 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 20 2 0 0 0 0
17 28 1 0 0 0 0
17 29 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 21 2 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 22 1 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
M END
$$$$