B78WGS
-OEChem-04022107092D
41 43 0 1 0 0 0 0 0999 V2000
4.4487 -1.6866 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3407 4.0806 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5268 3.3104 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5705 2.8946 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -2.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -0.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -2.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.1866 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -3.4913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -0.1921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 2.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -3.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 3.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -2.6866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 -0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 0.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 0.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -1.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -2.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -0.4858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -1.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 -0.0487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -3.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 1.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 2.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -4.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1856 -4.0806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 7 2 0 0 0 0
1 10 1 0 0 0 0
1 17 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 25 1 0 0 0 0
5 16 1 0 0 0 0
5 21 1 0 0 0 0
8 24 2 0 0 0 0
9 26 2 0 0 0 0
10 12 1 0 0 0 0
10 14 1 0 0 0 0
11 22 1 0 0 0 0
11 26 1 0 0 0 0
11 41 1 0 0 0 0
12 13 1 0 0 0 0
12 16 1 1 0 0 0
12 27 1 0 0 0 0
13 15 1 0 0 0 0
13 28 1 0 0 0 0
13 29 1 0 0 0 0
14 15 1 0 0 0 0
14 30 1 0 0 0 0
14 31 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
16 35 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 20 1 0 0 0 0
18 36 1 0 0 0 0
19 23 2 0 0 0 0
19 37 1 0 0 0 0
20 22 2 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
21 38 1 0 0 0 0
21 39 1 0 0 0 0
22 23 1 0 0 0 0
23 40 1 0 0 0 0
24 26 1 0 0 0 0
M END
$$$$