D0FO2K
-OEChem-10101305032D
41 44 0 0 0 0 0 0 0999 V2000
5.5443 -2.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -1.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 -0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8335 0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1871 0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1441 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4978 1.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -2.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -0.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4763 1.8463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2475 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5804 0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 -3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3179 -0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7508 1.2299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0837 2.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 -3.2130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 -0.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6689 2.4356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7479 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 11 1 0 0 0 0
2 26 1 0 0 0 0
2 41 1 0 0 0 0
3 26 2 0 0 0 0
4 12 1 0 0 0 0
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4 29 1 0 0 0 0
5 11 2 0 0 0 0
5 19 1 0 0 0 0
6 12 1 0 0 0 0
6 19 2 0 0 0 0
7 8 1 0 0 0 0
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7 10 1 0 0 0 0
8 11 1 0 0 0 0
8 12 2 0 0 0 0
9 13 1 0 0 0 0
10 14 2 0 0 0 0
10 15 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 20 1 0 0 0 0
14 27 1 0 0 0 0
15 21 2 0 0 0 0
15 28 1 0 0 0 0
16 22 1 0 0 0 0
16 30 1 0 0 0 0
17 23 2 0 0 0 0
17 31 1 0 0 0 0
18 26 1 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 24 2 0 0 0 0
20 35 1 0 0 0 0
21 24 1 0 0 0 0
21 36 1 0 0 0 0
22 25 2 0 0 0 0
22 37 1 0 0 0 0
23 25 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$