BX5R7G
-OEChem-04012113162D
39 41 0 1 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
2.2788 1.9139 0.0000 O 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
2.5878 2.8649 0.0000 N 0 0 3 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
3.5878 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0878 1.3261 0.0000 C 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
4.8479 1.6048 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
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
2.0000 3.6739 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
5.0558 0.6267 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
6.0068 0.3177 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
3.0878 -3.6739 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
4.1942 2.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5230 3.4815 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
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
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
4.5950 0.2118 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
6.1357 -0.2888 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
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
7.3396 0.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 11 1 0 0 0 0
1 21 1 0 0 0 0
2 5 1 0 0 0 0
2 8 1 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
6 10 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
9 12 2 0 0 0 0
9 13 1 0 0 0 0
10 17 2 0 0 0 0
10 18 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 15 1 0 0 0 0
12 25 1 0 0 0 0
13 16 2 0 0 0 0
13 26 1 0 0 0 0
14 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
15 30 1 0 0 0 0
16 31 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
18 20 2 0 0 0 0
18 33 1 0 0 0 0
19 22 2 0 0 0 0
19 34 1 0 0 0 0
20 22 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
M END
$$$$