D0D0XP
-OEChem-10101305022D
47 51 0 1 0 0 0 0 0999 V2000
3.0000 -2.7472 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.2314 0.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1606 -0.2961 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.6897 0.1795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5133 -0.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3370 0.1795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.8660 -0.2961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2392 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3370 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5918 0.8769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.2472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5133 1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 -1.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 -1.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5133 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8418 -1.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 3.0327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0597 -0.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6284 -0.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0496 -0.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3760 1.4816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6796 1.1437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9476 1.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5490 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1840 1.0607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4989 1.4899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 -1.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 -2.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0503 2.8672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3879 -1.4505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2641 -1.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2957 -0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6897 3.6527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 4.6772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 -4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
1 5 1 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
2 12 1 0 0 0 0
2 20 1 0 0 0 0
17 3 1 6 0 0 0
4 24 1 0 0 0 0
4 26 1 0 0 0 0
5 47 1 0 0 0 0
8 11 1 0 0 0 0
8 16 1 0 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 1 0 0 0
9 14 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 0 0 0 0
10 27 1 1 0 0 0
11 15 1 0 0 0 0
11 28 1 6 0 0 0
12 17 1 0 0 0 0
12 29 1 1 0 0 0
13 16 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 18 2 0 0 0 0
14 20 1 0 0 0 0
15 18 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 21 1 0 0 0 0
17 36 1 0 0 0 0
18 22 1 0 0 0 0
19 21 2 0 0 0 0
19 37 1 0 0 0 0
20 24 2 0 0 0 0
21 38 1 0 0 0 0
22 25 2 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
24 25 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
26 46 1 0 0 0 0
M END
$$$$