B8CQB3
-OEChem-04012117322D
41 44 0 1 0 0 0 0 0999 V2000
6.3234 -0.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2547 -0.1406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5335 1.6195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3181 2.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5628 -4.3380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9824 4.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6064 -4.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7936 -0.6406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7936 0.3594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7398 0.6641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8425 -0.9496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7398 -0.9453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8425 0.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0505 1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5335 -1.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0290 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3826 2.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2026 -2.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5553 -2.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3396 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8936 -3.5949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6933 3.3095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2463 -3.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6718 3.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9155 -3.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7947 -1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7947 1.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3523 0.7603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2302 -1.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4888 -1.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2772 -1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4430 1.3594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7759 2.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8091 -2.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1405 -1.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2792 3.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6399 -3.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7322 2.5161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3712 -4.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5684 4.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 11 1 0 0 0 0
2 13 1 0 0 0 0
3 13 2 0 0 0 0
4 20 1 0 0 0 0
4 38 1 0 0 0 0
5 21 1 0 0 0 0
5 39 1 0 0 0 0
6 24 1 0 0 0 0
6 40 1 0 0 0 0
7 25 1 0 0 0 0
7 41 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 12 1 0 0 0 0
8 26 1 1 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 27 1 1 0 0 0
10 14 1 1 0 0 0
10 28 1 0 0 0 0
11 15 1 1 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
17 22 2 0 0 0 0
17 33 1 0 0 0 0
18 21 1 0 0 0 0
18 34 1 0 0 0 0
19 23 2 0 0 0 0
19 35 1 0 0 0 0
20 24 2 0 0 0 0
21 25 2 0 0 0 0
22 24 1 0 0 0 0
22 36 1 0 0 0 0
23 25 1 0 0 0 0
23 37 1 0 0 0 0
M END
$$$$