D04GHK
-OEChem-10101305022D
31 31 0 1 0 0 0 0 0999 V2000
2.8660 -3.0600 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4682 1.8650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 1.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 1.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -3.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -4.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
1 14 1 0 0 0 0
2 3 1 0 0 0 0
2 28 1 0 0 0 0
3 4 1 0 0 0 0
3 20 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 15 1 0 0 0 0
5 7 1 0 0 0 0
5 16 1 0 0 0 0
5 17 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 2 0 0 0 0
7 10 1 0 0 0 0
8 21 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 11 1 0 0 0 0
9 24 1 0 0 0 0
10 12 2 0 0 0 0
10 25 1 0 0 0 0
11 13 2 0 0 0 0
11 26 1 0 0 0 0
12 13 1 0 0 0 0
12 27 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
M END
$$$$