B8RVA9
-OEChem-04022109572D
43 47 0 0 0 0 0 0 0999 V2000
5.5321 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -3.5146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9730 1.8173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5011 2.4741 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 -1.7099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0619 -2.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4783 -3.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -3.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3059 1.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4730 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9730 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9730 3.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4730 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9730 3.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0157 -1.4007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2272 -1.1430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5228 -2.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5228 -2.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2272 -3.8863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0157 -3.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -4.1693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.6818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -3.3475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3200 1.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9215 0.8777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4337 0.4736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2830 1.2803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6630 4.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0930 2.6833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2830 4.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 19 1 0 0 0 0
2 14 2 0 0 0 0
3 10 2 0 0 0 0
3 13 1 0 0 0 0
4 21 1 0 0 0 0
4 22 1 0 0 0 0
4 23 1 0 0 0 0
5 20 1 0 0 0 0
5 22 2 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 9 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 10 1 0 0 0 0
8 11 2 0 0 0 0
9 10 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
11 12 1 0 0 0 0
11 14 1 0 0 0 0
12 13 1 0 0 0 0
12 15 2 0 0 0 0
13 16 2 0 0 0 0
15 17 1 0 0 0 0
15 33 1 0 0 0 0
16 18 1 0 0 0 0
16 34 1 0 0 0 0
17 18 2 0 0 0 0
17 35 1 0 0 0 0
18 36 1 0 0 0 0
19 20 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
21 39 1 0 0 0 0
22 24 1 0 0 0 0
23 25 2 0 0 0 0
23 40 1 0 0 0 0
24 26 2 0 0 0 0
24 41 1 0 0 0 0
25 26 1 0 0 0 0
25 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$