B0O3MJ
-OEChem-04022105102D
37 39 0 1 0 0 0 0 0999 V2000
11.1289 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.7167 0.3090 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.1289 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1289 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1289 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
3.4030 -0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5453 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1289 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7167 -1.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6678 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6678 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0827 0.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2943 0.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2943 -1.8716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0827 -1.6140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5251 -1.8987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1694 -1.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.1694 0.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1900 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 16 1 0 0 0 0
2 16 1 0 0 0 0
2 21 1 0 0 0 0
5 23 2 0 0 0 0
6 8 1 0 0 0 0
6 37 1 0 0 0 0
7 9 1 0 0 0 0
7 10 1 0 0 0 0
8 23 1 0 0 0 0
8 36 1 0 0 0 0
9 11 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 12 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
13 15 2 0 0 0 0
13 28 1 0 0 0 0
14 17 2 0 0 0 0
14 29 1 0 0 0 0
15 17 1 0 0 0 0
15 19 1 0 0 0 0
16 18 2 0 0 0 0
17 30 1 0 0 0 0
18 20 1 0 0 0 0
18 31 1 0 0 0 0
19 22 2 0 0 0 0
19 32 1 0 0 0 0
20 21 2 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
22 23 1 0 0 0 0
22 35 1 0 0 0 0
M END
$$$$