BU0S5T
-OEChem-04012115232D
29 30 0 0 0 0 0 0 0999 V2000
2.0000 -1.2500 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 10 2 0 0 0 0
3 8 1 0 0 0 0
3 9 1 0 0 0 0
4 11 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 1 0 0 0 0
6 8 1 0 0 0 0
6 18 1 0 0 0 0
6 19 1 0 0 0 0
7 9 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
12 14 2 0 0 0 0
13 15 2 0 0 0 0
14 16 1 0 0 0 0
14 26 1 0 0 0 0
15 17 1 0 0 0 0
15 27 1 0 0 0 0
16 17 2 0 0 0 0
16 28 1 0 0 0 0
17 29 1 0 0 0 0
M END
$$$$