B52STZ
-OEChem-04012112212D
32 33 0 0 0 0 0 0 0999 V2000
3.3987 -1.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 3.3184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8987 4.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -2.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3987 2.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2647 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5326 0.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2077 3.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8987 4.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6541 -2.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0526 -3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7413 -3.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3428 -2.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8753 -1.8771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4768 -1.1868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5107 -4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 -4.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7507 -4.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8016 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9957 -0.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7973 3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2631 4.7710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
2 3 1 0 0 0 0
2 10 1 0 0 0 0
2 31 1 0 0 0 0
3 16 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
5 9 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 13 2 0 0 0 0
7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
8 12 1 0 0 0 0
9 23 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 15 2 0 0 0 0
11 13 1 0 0 0 0
11 26 1 0 0 0 0
12 14 2 0 0 0 0
12 27 1 0 0 0 0
13 28 1 0 0 0 0
14 29 1 0 0 0 0
15 16 1 0 0 0 0
15 30 1 0 0 0 0
16 32 1 0 0 0 0
M END
$$$$