B0DIN7
-OEChem-04022101582D
44 47 0 0 0 0 0 0 0999 V2000
5.5321 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 2.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 3.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1291 -3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9541 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5741 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6671 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 2 0 0 0 0
1 9 1 0 0 0 0
2 7 1 0 0 0 0
2 16 2 0 0 0 0
3 13 1 0 0 0 0
3 25 2 0 0 0 0
4 16 1 0 0 0 0
4 41 1 0 0 0 0
4 42 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 10 2 0 0 0 0
6 8 1 0 0 0 0
6 11 2 0 0 0 0
8 9 2 0 0 0 0
8 27 1 0 0 0 0
9 13 1 0 0 0 0
10 14 1 0 0 0 0
10 28 1 0 0 0 0
11 15 1 0 0 0 0
11 29 1 0 0 0 0
12 16 1 0 0 0 0
12 17 1 0 0 0 0
12 19 2 0 0 0 0
13 21 2 0 0 0 0
14 15 2 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
17 18 2 0 0 0 0
17 32 1 0 0 0 0
18 20 1 0 0 0 0
18 23 1 0 0 0 0
19 22 1 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 24 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$