BB9X1K
-OEChem-04012120042D
43 45 0 0 0 0 0 0 0999 V2000
3.7320 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 15 2 0 0 0 0
3 22 1 0 0 0 0
3 26 1 0 0 0 0
4 7 1 0 0 0 0
4 15 1 0 0 0 0
4 29 1 0 0 0 0
5 23 2 0 0 0 0
5 24 1 0 0 0 0
6 25 3 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 16 2 0 0 0 0
10 17 1 0 0 0 0
11 14 2 0 0 0 0
11 30 1 0 0 0 0
12 13 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 15 1 0 0 0 0
14 25 1 0 0 0 0
16 23 1 0 0 0 0
16 33 1 0 0 0 0
17 24 2 0 0 0 0
17 34 1 0 0 0 0
18 20 1 0 0 0 0
18 35 1 0 0 0 0
19 21 2 0 0 0 0
19 36 1 0 0 0 0
20 22 2 0 0 0 0
20 37 1 0 0 0 0
21 22 1 0 0 0 0
21 38 1 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
26 41 1 0 0 0 0
26 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$