D0X3JB
-OEChem-10101305022D
41 42 0 0 0 0 0 0 0999 V2000
7.1962 2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1962 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5000 0.0000 N 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
3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0000 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
4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.5000 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
2.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -2.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -2.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -1.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0781 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4766 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 15 1 0 0 0 0
1 19 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
5 11 1 0 0 0 0
6 9 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 8 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 12 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
12 16 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 15 1 0 0 0 0
13 32 1 0 0 0 0
14 17 2 0 0 0 0
14 33 1 0 0 0 0
15 18 2 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
16 36 1 0 0 0 0
17 18 1 0 0 0 0
17 37 1 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
19 40 1 0 0 0 0
19 41 1 0 0 0 0
M END
$$$$