B2EC1Z
-OEChem-04012118062D
46 48 0 0 0 0 0 0 0999 V2000
4.5981 1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7263 2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9561 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 0.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 1.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 2.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 1.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5947 2.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7976 2.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9490 2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9490 -0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3979 0.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 2.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 1.6957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2863 1.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1324 1.4522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9022 2.2983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 0.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -2.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 21 1 0 0 0 0
2 16 1 0 0 0 0
2 22 1 0 0 0 0
3 18 1 0 0 0 0
3 23 1 0 0 0 0
4 20 1 0 0 0 0
4 24 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 10 2 0 0 0 0
7 11 1 0 0 0 0
8 9 2 0 0 0 0
8 12 1 0 0 0 0
9 10 1 0 0 0 0
9 13 1 0 0 0 0
10 29 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 16 2 0 0 0 0
12 30 1 0 0 0 0
13 17 2 0 0 0 0
13 31 1 0 0 0 0
14 18 1 0 0 0 0
15 19 2 0 0 0 0
15 32 1 0 0 0 0
16 17 1 0 0 0 0
17 33 1 0 0 0 0
18 20 2 0 0 0 0
19 20 1 0 0 0 0
19 34 1 0 0 0 0
21 35 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
23 41 1 0 0 0 0
23 42 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
24 46 1 0 0 0 0
M END
$$$$