D0V7EA
-OEChem-10101305022D
45 48 0 0 0 0 0 0 0999 V2000
3.7320 2.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0901 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 -1.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0829 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5319 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 11 2 0 0 0 0
2 12 2 0 0 0 0
3 16 1 0 0 0 0
3 20 1 0 0 0 0
4 16 2 0 0 0 0
5 7 1 0 0 0 0
5 8 1 0 0 0 0
5 11 1 0 0 0 0
6 9 1 0 0 0 0
6 10 1 0 0 0 0
6 12 1 0 0 0 0
7 10 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 30 1 0 0 0 0
8 31 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 17 1 0 0 0 0
15 36 1 0 0 0 0
17 20 1 0 0 0 0
17 21 2 0 0 0 0
18 22 1 0 0 0 0
18 37 1 0 0 0 0
19 23 2 0 0 0 0
19 38 1 0 0 0 0
20 24 2 0 0 0 0
21 26 1 0 0 0 0
21 39 1 0 0 0 0
22 25 2 0 0 0 0
22 41 1 0 0 0 0
23 25 1 0 0 0 0
23 42 1 0 0 0 0
24 27 1 0 0 0 0
24 40 1 0 0 0 0
25 43 1 0 0 0 0
26 27 2 0 0 0 0
26 44 1 0 0 0 0
27 45 1 0 0 0 0
M END
$$$$