D7M3JN
-OEChem-06062108522D
36 36 0 0 0 0 0 0 0999 V2000
6.3301 1.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5950 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0950 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.3301 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3301 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3301 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 -2.4610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -0.7290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0950 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
2.8660 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -0.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 1.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 -0.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 -0.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 0.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 1.8080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 1.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 -1.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 17 1 0 0 0 0
2 7 1 0 0 0 0
2 8 2 0 0 0 0
2 9 2 0 0 0 0
2 19 1 0 0 0 0
3 10 1 0 0 0 0
4 35 1 0 0 0 0
7 36 1 0 0 0 0
10 11 1 0 0 0 0
10 16 2 3 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 14 1 0 0 0 0
12 22 1 0 0 0 0
12 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 16 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
16 31 1 0 0 0 0
17 20 1 0 0 0 0
18 21 2 0 0 0 0
18 32 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
M CHG 2 3 -1 10 1
M END
$$$$