B9DB2V
-OEChem-04012117532D
43 46 0 0 0 0 0 0 0999 V2000
2.9340 -2.0843 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4340 -2.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4340 -1.2183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.9157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 2.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 2.4157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0680 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -1.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.2043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2631 -0.2743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.7043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 2.7257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 3.5357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 -0.3943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 1.2257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7580 -2.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5310 -2.8943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3780 -3.1212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 3.5703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 2.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.0828 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 22 1 0 0 0 0
4 8 2 0 0 0 0
4 17 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 12 2 0 0 0 0
6 8 1 0 0 0 0
6 15 2 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 18 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
11 14 2 0 0 0 0
11 28 1 0 0 0 0
12 20 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
14 31 1 0 0 0 0
15 21 1 0 0 0 0
15 32 1 0 0 0 0
16 17 1 0 0 0 0
16 19 1 0 0 0 0
16 23 2 0 0 0 0
17 24 2 0 0 0 0
18 19 2 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 21 2 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
22 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
23 25 1 0 0 0 0
23 40 1 0 0 0 0
24 26 1 0 0 0 0
24 41 1 0 0 0 0
25 26 2 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$