BJ7N4T
-OEChem-04022107092D
41 43 0 1 0 0 0 0 0999 V2000
4.4487 -1.5321 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 3.9261 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 1.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -2.3981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 -0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -0.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -2.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.0321 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -3.3368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -0.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -1.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -3.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 2.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -1.7273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 3.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 -0.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 0.7600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 0.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -1.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -1.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -0.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -1.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -3.3421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 1.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -4.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1856 -3.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 3.7828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 3.0248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 24 1 0 0 0 0
3 14 1 0 0 0 0
3 20 1 0 0 0 0
6 22 2 0 0 0 0
7 23 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 19 1 0 0 0 0
9 23 1 0 0 0 0
9 39 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 1 0 0 0
10 25 1 0 0 0 0
11 13 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
12 13 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
13 30 1 0 0 0 0
13 31 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
17 21 2 0 0 0 0
17 35 1 0 0 0 0
18 19 2 0 0 0 0
18 22 1 0 0 0 0
19 21 1 0 0 0 0
20 24 1 0 0 0 0
20 36 1 0 0 0 0
20 37 1 0 0 0 0
21 38 1 0 0 0 0
22 23 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
M END
$$$$