B1THZ8
-OEChem-04022105162D
44 47 0 0 0 0 0 0 0999 V2000
7.8875 2.4692 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7778 -1.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1955 -2.1556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9808 0.6896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5026 1.3477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3116 -0.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9753 0.5851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4808 1.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3820 -0.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5631 1.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3765 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 0.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5576 1.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9643 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7833 -1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1845 -2.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1791 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4405 -0.6600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0419 1.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 0.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0176 -0.8301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3109 1.9605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9220 1.7911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5809 0.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -2.3014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.4797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5830 -2.5146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2278 -2.9831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.1143 -3.0858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7957 -2.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2439 -1.8526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0 0 0 0
2 15 1 0 0 0 0
2 17 1 0 0 0 0
3 17 2 0 0 0 0
4 26 1 0 0 0 0
4 27 1 0 0 0 0
5 26 2 0 0 0 0
6 10 1 0 0 0 0
6 11 1 0 0 0 0
6 12 1 0 0 0 0
7 8 1 0 0 0 0
7 12 1 0 0 0 0
7 30 1 0 0 0 0
8 9 1 0 0 0 0
8 10 2 0 0 0 0
9 13 2 0 0 0 0
9 17 1 0 0 0 0
10 29 1 0 0 0 0
11 16 1 0 0 0 0
11 18 2 0 0 0 0
13 14 1 0 0 0 0
13 31 1 0 0 0 0
14 15 1 0 0 0 0
14 20 2 0 0 0 0
15 23 2 0 0 0 0
16 19 2 0 0 0 0
16 32 1 0 0 0 0
18 21 1 0 0 0 0
18 33 1 0 0 0 0
19 22 1 0 0 0 0
19 26 1 0 0 0 0
20 24 1 0 0 0 0
20 34 1 0 0 0 0
21 22 2 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
23 25 1 0 0 0 0
23 37 1 0 0 0 0
24 25 2 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
27 28 1 0 0 0 0
27 40 1 0 0 0 0
27 41 1 0 0 0 0
28 42 1 0 0 0 0
28 43 1 0 0 0 0
28 44 1 0 0 0 0
M END
$$$$