D00EIL
-OEChem-10111523082D
40 43 0 0 0 0 0 0 0999 V2000
3.4030 -0.5986 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -1.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 -1.4646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 0.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8365 0.1891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -2.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.0986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -0.7938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2364 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6415 1.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6357 1.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9734 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 -1.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2380 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.0986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2263 1.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7479 -0.2223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8286 2.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8227 2.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8439 0.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9065 -0.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1399 -2.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6216 2.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8427 1.9028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4928 -0.7874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3130 -0.4775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0030 0.3427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5783 3.5599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1889 3.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5214 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 7 1 0 0 0 0
1 18 1 0 0 0 0
2 17 2 0 0 0 0
5 12 1 0 0 0 0
5 15 1 0 0 0 0
5 23 1 0 0 0 0
6 13 1 0 0 0 0
6 17 1 0 0 0 0
6 29 1 0 0 0 0
7 39 1 0 0 0 0
7 40 1 0 0 0 0
8 9 1 0 0 0 0
8 13 2 0 0 0 0
8 16 1 0 0 0 0
9 14 2 0 0 0 0
9 17 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 15 2 0 0 0 0
11 12 1 0 0 0 0
11 20 2 0 0 0 0
12 22 2 0 0 0 0
13 19 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 18 2 0 0 0 0
16 28 1 0 0 0 0
18 21 1 0 0 0 0
19 21 2 0 0 0 0
19 30 1 0 0 0 0
20 24 1 0 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
22 25 1 0 0 0 0
22 33 1 0 0 0 0
23 34 1 0 0 0 0
23 35 1 0 0 0 0
23 36 1 0 0 0 0
24 25 2 0 0 0 0
24 37 1 0 0 0 0
25 38 1 0 0 0 0
M END
$$$$