B3QB0G
-OEChem-04012114072D
63 67 0 0 0 0 0 0 0999 V2000
2.8660 1.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 4.6682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -5.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -5.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 5.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1448 5.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0570 -4.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6750 -4.9196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9757 4.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1667 5.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7596 -5.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4308 -6.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3012 -6.4872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9725 -5.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0597 4.5439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1464 5.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7112 6.1228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9533 6.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7470 -4.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4906 -5.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2414 -5.1718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9850 -4.3826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6657 3.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4773 3.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1019 6.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5467 5.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -0.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -0.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -0.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 1.7508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.2882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 2.8582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -0.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.9782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 4.4782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.0482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 23 2 0 0 0 0
2 8 1 0 0 0 0
2 9 1 0 0 0 0
2 12 1 0 0 0 0
3 10 1 0 0 0 0
3 11 1 0 0 0 0
3 13 1 0 0 0 0
4 5 1 0 0 0 0
4 8 1 0 0 0 0
4 32 1 0 0 0 0
4 33 1 0 0 0 0
5 9 1 0 0 0 0
5 34 1 0 0 0 0
5 35 1 0 0 0 0
6 7 1 0 0 0 0
6 10 1 0 0 0 0
6 36 1 0 0 0 0
6 37 1 0 0 0 0
7 11 1 0 0 0 0
7 38 1 0 0 0 0
7 39 1 0 0 0 0
8 40 1 0 0 0 0
8 41 1 0 0 0 0
9 42 1 0 0 0 0
9 43 1 0 0 0 0
10 44 1 0 0 0 0
10 45 1 0 0 0 0
11 46 1 0 0 0 0
11 47 1 0 0 0 0
12 19 2 0 0 0 0
12 21 1 0 0 0 0
13 20 2 0 0 0 0
13 22 1 0 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 48 1 0 0 0 0
14 49 1 0 0 0 0
15 17 1 0 0 0 0
15 50 1 0 0 0 0
15 51 1 0 0 0 0
16 18 1 0 0 0 0
16 52 1 0 0 0 0
16 53 1 0 0 0 0
17 23 1 0 0 0 0
17 26 2 0 0 0 0
18 23 1 0 0 0 0
18 27 2 0 0 0 0
19 28 1 0 0 0 0
19 54 1 0 0 0 0
20 29 1 0 0 0 0
20 55 1 0 0 0 0
21 30 2 0 0 0 0
21 56 1 0 0 0 0
22 31 2 0 0 0 0
22 57 1 0 0 0 0
24 26 1 0 0 0 0
24 28 2 0 0 0 0
24 30 1 0 0 0 0
25 27 1 0 0 0 0
25 29 2 0 0 0 0
25 31 1 0 0 0 0
26 58 1 0 0 0 0
27 59 1 0 0 0 0
28 60 1 0 0 0 0
29 61 1 0 0 0 0
30 62 1 0 0 0 0
31 63 1 0 0 0 0
M END
$$$$