B71NZU
-OEChem-04022100182D
36 37 0 1 0 0 0 0 0999 V2000
5.5686 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4480 2.3717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 2.0967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.3536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5468 0.4876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0413 1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9535 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9480 -0.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2690 1.9324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1566 0.0057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9980 0.8396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6429 1.3081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5891 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0646 2.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2002 -1.0969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3125 -0.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0 0 0 0
1 7 1 0 0 0 0
2 6 1 0 0 0 0
2 26 1 0 0 0 0
3 4 1 0 0 0 0
3 7 2 0 0 0 0
4 5 1 0 0 0 0
4 6 1 1 0 0 0
4 20 1 0 0 0 0
5 8 1 6 0 0 0
5 21 1 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
7 9 1 0 0 0 0
8 10 2 0 0 0 0
8 24 1 0 0 0 0
9 11 2 0 0 0 0
9 25 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 12 1 0 0 0 0
11 29 1 0 0 0 0
12 14 2 0 0 0 0
12 30 1 0 0 0 0
13 14 1 0 0 0 0
13 15 2 0 0 0 0
13 16 1 0 0 0 0
14 31 1 0 0 0 0
15 17 1 0 0 0 0
15 32 1 0 0 0 0
16 18 2 0 0 0 0
16 33 1 0 0 0 0
17 19 2 0 0 0 0
17 34 1 0 0 0 0
18 19 1 0 0 0 0
18 35 1 0 0 0 0
19 36 1 0 0 0 0
M END
$$$$