BW1O0Y
-OEChem-04022107112D
44 45 0 1 0 0 0 0 0999 V2000
4.4487 -0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.7420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.3512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.1488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4782 2.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5109 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3769 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2429 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5502 0.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0982 2.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5430 2.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 0.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 0.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6608 1.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1124 -0.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9094 -0.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7754 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9784 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1387 -1.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7587 -2.8882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0434 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2463 1.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 -2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9329 -0.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7799 -0.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5529 0.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
2 4 1 0 0 0 0
2 7 1 0 0 0 0
2 28 1 0 0 0 0
3 10 1 0 0 0 0
3 17 2 0 0 0 0
4 5 1 0 0 0 0
4 8 1 6 0 0 0
4 21 1 0 0 0 0
5 6 1 0 0 0 0
5 22 1 0 0 0 0
5 23 1 0 0 0 0
6 7 1 0 0 0 0
6 24 1 0 0 0 0
6 25 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 12 2 0 0 0 0
11 31 1 0 0 0 0
12 17 1 0 0 0 0
12 19 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
14 38 1 0 0 0 0
15 18 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 20 1 0 0 0 0
16 39 1 0 0 0 0
16 40 1 0 0 0 0
17 41 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
18 44 1 0 0 0 0
19 20 3 0 0 0 0
M END
$$$$