D0C2DS
-OEChem-02061504152D
43 47 0 1 0 0 0 0 0999 V2000
2.2314 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1607 -1.4511 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.6897 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5133 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.3370 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.8660 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2392 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3370 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5918 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8418 -2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5133 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0597 -2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6284 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0496 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3760 0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6795 -0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7254 -2.9848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1239 -2.2945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9476 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5490 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1840 -0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4989 0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2912 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0882 -3.3526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3879 -2.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.6371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2957 -1.7609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0503 1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6897 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 17 1 0 0 0 0
2 16 2 0 0 0 0
3 20 1 0 0 0 0
3 22 1 0 0 0 0
4 7 1 0 0 0 0
4 13 1 0 0 0 0
4 18 1 0 0 0 0
5 6 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 1 0 0 0
5 10 1 0 0 0 0
6 7 1 0 0 0 0
6 11 1 0 0 0 0
6 23 1 1 0 0 0
7 12 1 0 0 0 0
7 24 1 6 0 0 0
8 16 1 0 0 0 0
8 25 1 1 0 0 0
9 13 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 14 2 0 0 0 0
10 17 1 0 0 0 0
11 15 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 14 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 19 1 0 0 0 0
15 16 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
17 20 2 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
19 21 2 0 0 0 0
19 39 1 0 0 0 0
20 21 1 0 0 0 0
21 40 1 0 0 0 0
22 41 1 0 0 0 0
22 42 1 0 0 0 0
22 43 1 0 0 0 0
M END
$$$$