D00WMS
-OEChem-10101305022D
34 34 0 1 0 0 0 0 0999 V2000
2.0000 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5670 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
5.4641 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4682 0.9920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5611 0.8910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4081 0.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6350 1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6350 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7881 3.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5611 2.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 2.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 3.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2881 -0.4699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9081 0.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 2 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
2 16 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 17 1 0 0 0 0
5 24 1 0 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 18 1 0 0 0 0
7 19 1 0 0 0 0
7 20 1 0 0 0 0
8 27 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
11 13 1 0 0 0 0
11 30 1 0 0 0 0
12 14 2 0 0 0 0
12 31 1 0 0 0 0
13 15 2 0 0 0 0
13 32 1 0 0 0 0
14 15 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
M END
$$$$