B0TS3K
-OEChem-04012120062D
41 43 0 0 0 0 0 0 0999 V2000
7.7010 3.2694 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.1132 2.4604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -3.0784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2733 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 3.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5100 2.6816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6132 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6132 -3.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8042 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -0.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 1.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8532 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -2.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4793 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7472 -1.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2888 4.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1100 1.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 -0.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 1.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 0.5823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0119 1.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -0.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0162 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2103 -1.8884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7904 3.7140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6532 4.5800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7872 4.4429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1060 -0.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2389 2.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9932 -4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6132 -4.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2332 -4.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5653 -0.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6982 1.9753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 12 1 0 0 0 0
1 20 1 0 0 0 0
2 10 1 0 0 0 0
2 12 1 0 0 0 0
3 7 2 0 0 0 0
3 8 2 0 0 0 0
3 15 1 0 0 0 0
3 23 1 0 0 0 0
4 26 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
10 14 1 0 0 0 0
11 16 2 0 0 0 0
11 17 1 0 0 0 0
12 13 2 0 0 0 0
13 27 1 0 0 0 0
14 21 2 0 0 0 0
14 22 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 18 1 0 0 0 0
16 28 1 0 0 0 0
17 19 2 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
19 31 1 0 0 0 0
20 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
21 24 1 0 0 0 0
21 35 1 0 0 0 0
22 25 2 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
M END
$$$$