BBNW58
-OEChem-04012116572D
44 47 0 1 0 0 0 0 0999 V2000
3.8155 -2.0733 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
2.0520 1.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8001 -1.0734 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0
3.7841 -0.0319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6501 0.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9180 0.4681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6501 1.4681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.5810 0.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5599 -0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4973 1.1336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2282 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6984 -1.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9021 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 1.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0080 -0.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5842 -1.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9180 1.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1553 2.0733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4488 0.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1819 0.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0751 2.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9862 0.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1726 0.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1730 -0.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7551 0.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8932 0.9941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4522 2.0371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3636 0.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3050 -2.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1032 -2.0520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5048 -2.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3030 -2.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1826 2.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3855 2.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8035 0.5465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3964 -0.1401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8069 -1.6307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1924 -0.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3900 -0.9696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 -1.6624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7379 2.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9433 2.6559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5727 1.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0 0 0 0
2 17 2 0 0 0 0
3 4 1 0 0 0 0
3 12 1 0 0 0 0
3 13 1 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 8 1 6 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
5 20 1 1 0 0 0
6 15 1 0 0 0 0
6 17 1 0 0 0 0
6 21 1 1 0 0 0
7 11 1 0 0 0 0
7 14 1 0 0 0 0
7 22 1 6 0 0 0
8 10 1 0 0 0 0
8 23 1 0 0 0 0
8 24 1 0 0 0 0
9 16 1 0 0 0 0
9 25 1 0 0 0 0
9 26 1 0 0 0 0
10 11 1 0 0 0 0
10 19 1 6 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 16 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 18 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 17 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 18 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
18 40 1 0 0 0 0
18 41 1 0 0 0 0
19 42 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
M CHG 2 1 -1 3 1
M END
$$$$