D02IED
-OEChem-10101305032D
28 29 0 1 0 0 0 0 0999 V2000
5.4641 2.3725 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 -1.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6443 -2.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8144 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 -0.6275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9230 -1.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 -2.1664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8198 -2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5135 -2.7188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2845 -0.3461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6130 -0.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3566 -1.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8444 -2.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2626 -3.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9907 -3.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0277 -2.9106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.1825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1788 -3.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 10 1 0 0 0 0
2 12 1 0 0 0 0
9 3 1 1 0 0 0
3 25 1 0 0 0 0
4 13 1 0 0 0 0
4 28 1 0 0 0 0
5 14 2 0 0 0 0
6 17 2 0 0 0 0
10 7 1 6 0 0 0
7 14 1 0 0 0 0
7 15 1 0 0 0 0
8 14 1 0 0 0 0
8 17 1 0 0 0 0
8 27 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 18 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 0 0 0 0
11 20 1 0 0 0 0
11 21 1 0 0 0 0
12 13 1 6 0 0 0
12 22 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
15 16 2 0 0 0 0
15 26 1 0 0 0 0
16 17 1 0 0 0 0
M END
$$$$