BS1J5R
-OEChem-04022100482D
53 56 0 1 0 0 0 0 0999 V2000
5.7989 -3.2929 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.6288 -3.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1698 3.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 -1.1769 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.5356 -1.4088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.6710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7878 3.9109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4788 4.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0301 -2.3793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2111 -4.1019 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.5301 -1.5133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0082 -2.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 -5.0529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6233 -3.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2111 -4.1019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.1992 -0.7701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7111 -5.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5202 -5.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 -0.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9511 -5.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8448 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 0.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8448 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1128 1.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 2.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9788 3.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4788 4.8620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8910 5.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4109 -2.4118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4926 -3.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1924 -2.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0730 -2.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6282 -2.1714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4637 -4.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8235 -4.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5092 -0.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6976 -0.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2963 -6.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1260 -6.1015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8302 -5.5899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0865 -4.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1908 -1.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5894 -0.5692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2834 -0.8424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1711 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3817 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5758 0.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3817 2.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5758 2.1331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3926 6.0354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5266 6.1726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3894 5.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15 1 1 1 0 0 0
2 14 2 0 0 0 0
3 27 1 0 0 0 0
3 28 1 0 0 0 0
4 12 1 0 0 0 0
4 16 1 0 0 0 0
4 19 1 0 0 0 0
11 5 1 1 0 0 0
5 45 1 0 0 0 0
5 46 1 0 0 0 0
6 20 3 0 0 0 0
7 8 1 0 0 0 0
7 27 2 0 0 0 0
8 28 2 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 14 1 1 0 0 0
9 30 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
10 15 1 0 0 0 0
10 31 1 0 0 0 0
11 16 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 17 1 0 0 0 0
13 20 1 1 0 0 0
13 35 1 0 0 0 0
15 18 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
17 18 1 0 0 0 0
17 39 1 0 0 0 0
17 40 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
19 21 1 0 0 0 0
19 43 1 0 0 0 0
19 44 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
22 47 1 0 0 0 0
23 25 2 0 0 0 0
23 48 1 0 0 0 0
24 26 2 0 0 0 0
24 49 1 0 0 0 0
25 26 1 0 0 0 0
25 50 1 0 0 0 0
26 27 1 0 0 0 0
28 29 1 0 0 0 0
29 51 1 0 0 0 0
29 52 1 0 0 0 0
29 53 1 0 0 0 0
M END
$$$$