BCE2I8
-OEChem-04022101392D
48 51 0 0 0 0 0 0 0999 V2000
10.5309 -3.1278 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3969 -2.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6648 -3.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 1.1411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9473 -0.4684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 0.3363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6116 2.6297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -0.1637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0309 -3.9938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5309 0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2579 2.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5901 2.8359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5309 -1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0309 -2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9007 3.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5309 -1.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0309 -2.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.6637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2329 4.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9437 3.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2544 4.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8048 1.7996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6405 2.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.9563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8409 0.8733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3409 0.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9109 -1.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5074 3.9143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1509 -1.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7209 -2.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4255 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3370 3.2461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8403 4.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.4563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6509 -3.9938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7209 -4.5307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0 0 0 0
1 4 2 0 0 0 0
1 10 1 0 0 0 0
1 23 1 0 0 0 0
2 27 2 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
6 12 2 0 0 0 0
6 14 1 0 0 0 0
7 12 1 0 0 0 0
7 19 1 0 0 0 0
7 34 1 0 0 0 0
8 17 1 0 0 0 0
8 29 2 0 0 0 0
9 27 1 0 0 0 0
9 45 1 0 0 0 0
9 46 1 0 0 0 0
10 47 1 0 0 0 0
10 48 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
13 17 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 16 1 0 0 0 0
15 20 2 0 0 0 0
15 33 1 0 0 0 0
16 18 2 0 0 0 0
16 35 1 0 0 0 0
17 24 2 0 0 0 0
18 20 1 0 0 0 0
18 27 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 36 1 0 0 0 0
21 25 1 0 0 0 0
21 37 1 0 0 0 0
22 26 2 0 0 0 0
22 38 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
24 28 1 0 0 0 0
24 39 1 0 0 0 0
25 40 1 0 0 0 0
26 41 1 0 0 0 0
28 30 2 0 0 0 0
28 42 1 0 0 0 0
29 30 1 0 0 0 0
29 43 1 0 0 0 0
30 44 1 0 0 0 0
M END
$$$$