DSU7K2
-OEChem-06062108522D
45 45 0 1 0 0 0 0 0999 V2000
3.0000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3335 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1306 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9966 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1996 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4631 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0656 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8626 0.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3520 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1120 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5991 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0622 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7331 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6592 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 6 1 0 0 0 0
1 15 1 0 0 0 0
2 14 1 0 0 0 0
2 22 1 0 0 0 0
5 14 2 0 0 0 0
10 6 1 6 0 0 0
6 29 1 0 0 0 0
7 13 1 0 0 0 0
7 23 2 0 0 0 0
8 23 1 0 0 0 0
8 42 1 0 0 0 0
8 43 1 0 0 0 0
9 23 1 0 0 0 0
9 44 1 0 0 0 0
9 45 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 24 1 0 0 0 0
11 12 1 0 0 0 0
11 25 1 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
12 28 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 19 1 0 0 0 0
16 32 1 0 0 0 0
17 20 2 0 0 0 0
17 33 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
18 21 1 0 0 0 0
19 34 1 0 0 0 0
20 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$