B37TYH
-OEChem-04022106352D
41 43 0 1 0 0 0 0 0999 V2000
2.5000 -1.9003 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.8021 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1939 -5.0381 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.7816 -5.1121 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.1199 -3.6258 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 3.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 3.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.6979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.1979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 4.8021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -1.6924 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2213 -2.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 -3.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1724 -2.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7076 -3.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 -4.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9155 -2.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 -4.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3177 -2.2913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.5736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -1.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 -0.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 -3.5313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3012 -1.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6276 -4.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5052 -2.5301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 0.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 0.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 2.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 2.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 5.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 5.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 14 1 0 0 0 0
2 7 2 0 0 0 0
2 8 2 0 0 0 0
2 11 1 0 0 0 0
2 24 1 0 0 0 0
3 27 1 0 0 0 0
4 27 1 0 0 0 0
5 27 1 0 0 0 0
6 15 2 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 15 1 0 0 0 0
10 18 1 0 0 0 0
10 31 1 0 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 13 1 0 0 0 0
12 28 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 15 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
17 21 2 0 0 0 0
17 33 1 0 0 0 0
18 22 2 0 0 0 0
18 23 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
19 27 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 25 1 0 0 0 0
22 36 1 0 0 0 0
23 26 2 0 0 0 0
23 37 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 38 1 0 0 0 0
26 39 1 0 0 0 0
M END
$$$$