D0KG1D
-OEChem-10101305022D
29 31 0 0 0 0 0 0 0999 V2000
10.3972 1.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6270 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 1.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 0.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6199 2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6199 -0.9220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0688 -0.1002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9353 1.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 28 1 0 0 0 0
2 16 1 0 0 0 0
2 29 1 0 0 0 0
3 5 2 0 0 0 0
3 6 1 0 0 0 0
4 6 2 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
6 11 1 0 0 0 0
7 12 2 0 0 0 0
7 13 1 0 0 0 0
8 9 2 0 0 0 0
8 19 1 0 0 0 0
9 20 1 0 0 0 0
10 14 2 0 0 0 0
10 21 1 0 0 0 0
11 15 2 0 0 0 0
11 22 1 0 0 0 0
12 16 1 0 0 0 0
12 23 1 0 0 0 0
13 17 2 0 0 0 0
13 24 1 0 0 0 0
14 15 1 0 0 0 0
15 25 1 0 0 0 0
16 18 2 0 0 0 0
17 18 1 0 0 0 0
17 26 1 0 0 0 0
18 27 1 0 0 0 0
M END
$$$$