B3YDQ5
-OEChem-04022107052D
43 44 0 0 0 0 0 0 0999 V2000
3.7320 -1.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -2.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 2.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 3.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 4.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 4.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 4.3800 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 6 1 0 0 0 0
1 9 1 0 0 0 0
4 18 1 0 0 0 0
4 21 1 0 0 0 0
5 22 1 0 0 0 0
5 42 1 0 0 0 0
5 43 1 0 0 0 0
6 7 2 0 0 0 0
6 8 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 12 2 0 0 0 0
8 14 1 0 0 0 0
9 15 2 0 0 0 0
9 16 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
10 17 1 0 0 0 0
11 23 1 0 0 0 0
12 24 1 0 0 0 0
13 25 1 0 0 0 0
13 26 1 0 0 0 0
13 27 1 0 0 0 0
14 28 1 0 0 0 0
14 29 1 0 0 0 0
14 30 1 0 0 0 0
15 19 1 0 0 0 0
15 31 1 0 0 0 0
16 20 2 0 0 0 0
16 32 1 0 0 0 0
17 33 1 0 0 0 0
17 34 1 0 0 0 0
17 35 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
19 36 1 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
21 39 1 0 0 0 0
22 40 1 0 0 0 0
22 41 1 0 0 0 0
M END
$$$$