B96CZO
-OEChem-04012116012D
35 36 0 0 0 0 0 0 0999 V2000
6.3301 -2.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 3.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 2.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 -1.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
1 19 1 0 0 0 0
2 16 2 0 0 0 0
3 20 1 0 0 0 0
3 35 1 0 0 0 0
4 20 2 0 0 0 0
5 14 1 0 0 0 0
5 17 2 0 0 0 0
6 16 1 0 0 0 0
6 17 1 0 0 0 0
6 32 1 0 0 0 0
7 18 3 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 14 1 0 0 0 0
8 21 1 0 0 0 0
9 11 1 0 0 0 0
9 22 1 0 0 0 0
9 23 1 0 0 0 0
10 12 1 0 0 0 0
10 24 1 0 0 0 0
10 25 1 0 0 0 0
11 13 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 13 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
15 18 1 0 0 0 0
19 20 1 0 0 0 0
19 33 1 0 0 0 0
19 34 1 0 0 0 0
M END
$$$$