D06VSA
-OEChem-10101305022D
44 45 0 0 0 0 0 0 0999 V2000
6.4347 3.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8141 4.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2318 5.3580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2437 2.0262 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4128 3.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8195 4.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2208 5.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.4844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -1.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 0.3253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.9844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 0.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5294 2.7046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7872 5.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4730 6.1334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6544 5.8192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 20 1 0 0 0 0
2 13 2 0 0 0 0
3 22 1 0 0 0 0
3 23 1 0 0 0 0
4 22 2 0 0 0 0
5 16 2 0 0 0 0
5 21 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 12 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
14 36 1 0 0 0 0
15 18 2 0 0 0 0
15 37 1 0 0 0 0
17 19 2 0 0 0 0
17 38 1 0 0 0 0
18 19 1 0 0 0 0
18 39 1 0 0 0 0
19 40 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
M END
$$$$