BL2KA0
-OEChem-04022101022D
35 36 0 0 0 0 0 0 0999 V2000
8.9282 1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 0.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1042 1.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 2.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4842 2.3539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2200 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 16 1 0 0 0 0
2 15 1 0 0 0 0
2 20 1 0 0 0 0
5 9 1 0 0 0 0
5 10 1 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 22 1 0 0 0 0
7 12 2 0 0 0 0
7 17 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 17 2 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
13 15 1 0 0 0 0
13 25 1 0 0 0 0
14 18 2 0 0 0 0
14 26 1 0 0 0 0
15 19 2 0 0 0 0
16 27 1 0 0 0 0
16 28 1 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
18 19 1 0 0 0 0
18 31 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
M END
$$$$