BU7PT9
-OEChem-04022105432D
59 62 0 0 0 0 0 0 0999 V2000
6.3981 1.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 4.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.7534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.2466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 3.2466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 4.2466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7422 -3.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5899 -3.1361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3595 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9726 -4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7422 -4.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5899 -4.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -5.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 2.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 3.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 3.2466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1816 -2.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2030 0.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1894 -1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 -1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5880 0.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1894 -0.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1426 -0.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7441 0.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6612 -2.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1275 -3.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2046 -3.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6708 -2.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8676 -3.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8676 -4.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4645 -4.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4645 -3.6826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1275 -5.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6612 -5.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6708 -5.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2046 -5.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2886 -5.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0435 -5.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 0.5919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 3.9012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.4137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 3.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8612 4.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 5.3666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 2 0 0 0 0
2 29 2 0 0 0 0
3 7 1 0 0 0 0
3 59 1 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
5 9 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
6 23 1 0 0 0 0
6 24 2 0 0 0 0
7 29 1 0 0 0 0
7 58 1 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
8 30 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
9 31 1 0 0 0 0
10 12 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 16 1 0 0 0 0
14 40 1 0 0 0 0
14 41 1 0 0 0 0
15 17 1 0 0 0 0
15 42 1 0 0 0 0
15 43 1 0 0 0 0
16 18 1 0 0 0 0
16 44 1 0 0 0 0
16 45 1 0 0 0 0
17 19 1 0 0 0 0
17 46 1 0 0 0 0
17 47 1 0 0 0 0
18 20 1 0 0 0 0
18 48 1 0 0 0 0
18 49 1 0 0 0 0
19 20 1 0 0 0 0
19 50 1 0 0 0 0
19 51 1 0 0 0 0
20 52 1 0 0 0 0
20 53 1 0 0 0 0
21 23 1 0 0 0 0
21 25 2 0 0 0 0
22 24 1 0 0 0 0
23 26 2 0 0 0 0
24 29 1 0 0 0 0
25 27 1 0 0 0 0
25 54 1 0 0 0 0
26 28 1 0 0 0 0
26 55 1 0 0 0 0
27 28 2 0 0 0 0
27 56 1 0 0 0 0
28 57 1 0 0 0 0
M END
$$$$