B39BMJ
-OEChem-04012118262D
33 35 0 0 0 0 0 0 0999 V2000
5.9209 2.8089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 1.3203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -2.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -1.7979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.2979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.9932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -0.0427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 0.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 0.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -3.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 1.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2531 3.5532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 -0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7144 0.5738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3996 -3.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1815 -4.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5783 -3.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2177 2.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 0.8588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7145 3.9672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8390 4.0146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7916 3.1391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
1 20 1 0 0 0 0
2 16 1 0 0 0 0
2 30 1 0 0 0 0
3 4 1 0 0 0 0
3 10 1 0 0 0 0
3 15 1 0 0 0 0
4 9 2 0 0 0 0
5 10 2 0 0 0 0
5 19 1 0 0 0 0
6 12 1 0 0 0 0
6 19 2 0 0 0 0
7 12 1 0 0 0 0
7 28 1 0 0 0 0
7 29 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 12 2 0 0 0 0
9 11 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
13 16 1 0 0 0 0
13 21 1 0 0 0 0
14 17 2 0 0 0 0
14 22 1 0 0 0 0
15 23 1 0 0 0 0
15 24 1 0 0 0 0
15 25 1 0 0 0 0
16 18 2 0 0 0 0
17 18 1 0 0 0 0
17 26 1 0 0 0 0
19 27 1 0 0 0 0
20 31 1 0 0 0 0
20 32 1 0 0 0 0
20 33 1 0 0 0 0
M END
$$$$