B6TWF7
-OEChem-04012115482D
28 30 0 0 0 0 0 0 0999 V2000
8.1663 -0.2704 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
3.7817 1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -1.8020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -0.2465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 0.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3062 0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5141 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3142 1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4121 1.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6082 -1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0067 -1.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1316 -2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9286 -2.2422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9736 1.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3284 0.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8523 1.5891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4097 2.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6879 -1.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3121 -2.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
2 11 2 0 0 0 0
3 10 1 0 0 0 0
3 14 2 0 0 0 0
4 11 1 0 0 0 0
4 14 1 0 0 0 0
4 23 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
6 10 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 8 2 0 0 0 0
7 12 1 0 0 0 0
8 9 1 0 0 0 0
8 13 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
12 15 2 0 0 0 0
13 16 2 0 0 0 0
13 22 1 0 0 0 0
14 17 1 0 0 0 0
15 16 1 0 0 0 0
15 24 1 0 0 0 0
16 25 1 0 0 0 0
17 26 1 0 0 0 0
17 27 1 0 0 0 0
17 28 1 0 0 0 0
M END
$$$$