B59DXB
-OEChem-04012112262D
54 56 0 1 0 0 0 0 0999 V2000
8.9073 4.1307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.1012 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2437 3.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4347 4.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 4.2352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.4128 5.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.3988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 1.8988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.4641 3.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9337 2.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7453 3.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3698 5.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8147 4.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1350 3.6564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9792 5.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2212 5.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.5188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 2.9357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 0.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 0.8988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -2.2912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.9112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10 1 1 6 0 0 0
2 29 1 0 0 0 0
3 14 2 0 0 0 0
4 16 2 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
5 14 1 0 0 0 0
12 6 1 1 0 0 0
6 39 1 0 0 0 0
6 40 1 0 0 0 0
7 16 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 10 1 0 0 0 0
8 30 1 0 0 0 0
8 31 1 0 0 0 0
9 11 1 0 0 0 0
9 32 1 0 0 0 0
9 33 1 0 0 0 0
10 11 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
12 37 1 0 0 0 0
13 15 1 0 0 0 0
13 16 1 6 0 0 0
13 38 1 0 0 0 0
15 17 2 0 0 0 0
15 18 1 0 0 0 0
17 19 1 0 0 0 0
17 41 1 0 0 0 0
18 20 2 0 0 0 0
18 42 1 0 0 0 0
19 21 2 0 0 0 0
19 43 1 0 0 0 0
20 21 1 0 0 0 0
20 44 1 0 0 0 0
21 24 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
23 50 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
25 27 1 0 0 0 0
25 51 1 0 0 0 0
26 28 2 0 0 0 0
26 52 1 0 0 0 0
27 29 2 0 0 0 0
27 53 1 0 0 0 0
28 29 1 0 0 0 0
28 54 1 0 0 0 0
M END
$$$$