B3XUB2
-OEChem-04012119302D
59 61 0 1 0 0 0 0 0999 V2000
8.5991 -1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1972 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.7331 -0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.4651 -0.8100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.5991 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8312 -0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8312 -2.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0632 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7953 -0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9976 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2006 1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3681 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1412 0.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2942 -0.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2942 -1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5212 -2.7130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3681 -2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7365 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5335 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 -2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 2.6650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3322 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9292 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3322 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 9 1 0 0 0 0
2 9 1 0 0 0 0
2 10 1 0 0 0 0
3 11 1 0 0 0 0
3 20 1 0 0 0 0
4 30 1 0 0 0 0
4 59 1 0 0 0 0
5 30 2 0 0 0 0
6 18 1 0 0 0 0
6 23 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 12 1 0 0 0 0
7 31 1 0 0 0 0
8 13 1 0 0 0 0
8 32 1 0 0 0 0
9 11 1 0 0 0 0
9 33 1 0 0 0 0
10 34 1 0 0 0 0
10 35 1 0 0 0 0
11 14 1 0 0 0 0
11 15 1 0 0 0 0
12 16 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 17 1 0 0 0 0
13 18 2 0 0 0 0
14 38 1 0 0 0 0
14 39 1 0 0 0 0
14 40 1 0 0 0 0
15 41 1 0 0 0 0
15 42 1 0 0 0 0
15 43 1 0 0 0 0
16 19 2 0 0 0 0
16 44 1 0 0 0 0
17 21 2 0 0 0 0
17 45 1 0 0 0 0
18 46 1 0 0 0 0
19 22 1 0 0 0 0
19 47 1 0 0 0 0
20 24 2 0 0 0 0
20 25 1 0 0 0 0
21 23 1 0 0 0 0
21 48 1 0 0 0 0
22 26 1 0 0 0 0
22 49 1 0 0 0 0
22 50 1 0 0 0 0
23 51 1 0 0 0 0
24 27 1 0 0 0 0
24 52 1 0 0 0 0
25 28 2 0 0 0 0
25 53 1 0 0 0 0
26 30 1 0 0 0 0
26 54 1 0 0 0 0
26 55 1 0 0 0 0
27 29 2 0 0 0 0
27 56 1 0 0 0 0
28 29 1 0 0 0 0
28 57 1 0 0 0 0
29 58 1 0 0 0 0
M END
$$$$