B58AEN
-OEChem-04012116442D
44 46 0 0 0 0 0 0 0999 V2000
5.4641 -1.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.2500 0.0000 N 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
5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 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
4.5981 -1.2500 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
3.7320 3.2500 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
5.4641 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -4.7500 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
6.0747 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -4.2131 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 12 2 0 0 0 0
2 7 1 0 0 0 0
2 8 1 0 0 0 0
2 11 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
3 12 1 0 0 0 0
4 12 1 0 0 0 0
4 15 1 0 0 0 0
4 33 1 0 0 0 0
5 14 1 0 0 0 0
5 18 2 0 0 0 0
6 15 1 0 0 0 0
6 20 2 0 0 0 0
7 9 1 0 0 0 0
7 24 1 0 0 0 0
7 25 1 0 0 0 0
8 10 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 13 1 0 0 0 0
11 14 2 0 0 0 0
13 16 2 0 0 0 0
13 32 1 0 0 0 0
14 34 1 0 0 0 0
15 17 2 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
17 19 1 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 21 1 0 0 0 0
20 23 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
23 44 1 0 0 0 0
M END
$$$$