B8YK3H
-OEChem-04022102252D
59 60 0 1 0 0 0 0 0999 V2000
4.5981 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7320 0.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.8660 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -1.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3913 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 22 2 0 0 0 0
3 23 2 0 0 0 0
16 4 1 1 0 0 0
4 22 1 0 0 0 0
4 43 1 0 0 0 0
5 17 1 0 0 0 0
18 5 1 1 0 0 0
5 46 1 0 0 0 0
6 23 1 0 0 0 0
6 55 1 0 0 0 0
6 56 1 0 0 0 0
7 25 2 0 0 0 0
7 27 1 0 0 0 0
8 26 2 0 0 0 0
8 28 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 29 1 0 0 0 0
10 13 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 14 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 16 1 0 0 0 0
12 34 1 0 0 0 0
12 35 1 0 0 0 0
13 15 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
14 15 1 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 17 1 0 0 0 0
16 42 1 0 0 0 0
18 19 1 0 0 0 0
18 23 1 0 0 0 0
18 44 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 1 0 0 0
19 45 1 0 0 0 0
20 24 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
21 49 1 0 0 0 0
21 50 1 0 0 0 0
21 51 1 0 0 0 0
22 25 1 0 0 0 0
24 52 1 0 0 0 0
24 53 1 0 0 0 0
24 54 1 0 0 0 0
25 26 1 0 0 0 0
26 57 1 0 0 0 0
27 28 2 0 0 0 0
27 58 1 0 0 0 0
28 59 1 0 0 0 0
M END
$$$$