D04ZGR
-OEChem-10101305022D
29 31 0 0 0 0 0 0 0999 V2000
4.2740 1.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5381 0.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4022 -0.2398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0403 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0403 -1.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1343 -0.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7842 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5763 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1343 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6823 1.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5844 1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2702 0.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0475 0.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 -2.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2032 -1.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0475 -2.4219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2438 1.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1096 -0.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5985 -1.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6799 2.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1225 1.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3998 -0.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 3 1 0 0 0 0
2 29 1 0 0 0 0
3 18 1 0 0 0 0
3 28 1 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
4 8 1 0 0 0 0
5 7 1 0 0 0 0
5 13 2 0 0 0 0
6 9 1 0 0 0 0
6 11 1 0 0 0 0
7 10 1 0 0 0 0
7 14 2 0 0 0 0
8 12 2 0 0 0 0
8 19 1 0 0 0 0
9 10 2 0 0 0 0
9 20 1 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 15 1 0 0 0 0
12 18 1 0 0 0 0
13 16 1 0 0 0 0
13 23 1 0 0 0 0
14 17 1 0 0 0 0
14 24 1 0 0 0 0
15 25 1 0 0 0 0
16 17 2 0 0 0 0
16 26 1 0 0 0 0
17 27 1 0 0 0 0
M END
$$$$