B28LDQ
-OEChem-04012116072D
42 44 0 1 0 0 0 0 0999 V2000
2.8660 1.8319 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.8319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8319 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9923 -0.6956 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.6249 -1.0563 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.6315 0.6718 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 -0.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1244 2.8560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.3111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 -1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3580 1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 -0.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 1.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2605 -0.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.7507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -1.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3509 2.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.3581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6601 3.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 4 1 0 0 0 0
1 5 1 0 0 0 0
1 6 1 0 0 0 0
1 13 1 0 0 0 0
7 24 1 0 0 0 0
8 24 1 0 0 0 0
9 24 1 0 0 0 0
10 16 1 0 0 0 0
10 19 1 0 0 0 0
11 25 1 0 0 0 0
11 42 1 0 0 0 0
12 25 2 0 0 0 0
13 17 1 0 0 0 0
13 18 2 0 0 0 0
14 16 1 0 0 0 0
14 17 2 0 0 0 0
14 20 1 0 0 0 0
15 16 2 0 0 0 0
15 18 1 0 0 0 0
15 21 1 0 0 0 0
17 31 1 0 0 0 0
18 32 1 0 0 0 0
19 22 1 0 0 0 0
19 24 1 0 0 0 0
19 33 1 0 0 0 0
20 23 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 22 2 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
23 26 2 0 0 0 0
23 27 1 0 0 0 0
26 28 1 0 0 0 0
26 37 1 0 0 0 0
27 29 2 0 0 0 0
27 38 1 0 0 0 0
28 30 2 0 0 0 0
28 39 1 0 0 0 0
29 30 1 0 0 0 0
29 40 1 0 0 0 0
30 41 1 0 0 0 0
M END
$$$$