BSVJ39
-OEChem-04022108362D
39 42 0 0 0 0 0 0 0999 V2000
5.7490 -0.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 1.1547 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0170 -0.3453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0169 -3.3453 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9820 1.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7840 1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7595 2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0065 2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3830 3.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5365 0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 0.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7690 2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9970 2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5342 1.1677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7660 2.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0169 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -1.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 -2.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1509 -2.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1140 3.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6520 3.9039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 0.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3916 0.2655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 3.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1280 3.4918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7789 0.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9871 0.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4083 2.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3578 2.3682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4800 -0.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4199 -1.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6140 -1.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4199 -3.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6140 -3.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 13 1 0 0 0 0
3 13 1 0 0 0 0
3 20 1 0 0 0 0
3 35 1 0 0 0 0
4 23 2 0 0 0 0
4 24 1 0 0 0 0
5 7 1 0 0 0 0
5 11 2 0 0 0 0
6 8 1 0 0 0 0
6 12 2 0 0 0 0
7 9 1 0 0 0 0
7 14 2 0 0 0 0
8 10 1 0 0 0 0
8 15 2 0 0 0 0
9 10 2 0 0 0 0
9 25 1 0 0 0 0
10 26 1 0 0 0 0
11 16 1 0 0 0 0
11 27 1 0 0 0 0
12 17 1 0 0 0 0
12 28 1 0 0 0 0
14 18 1 0 0 0 0
14 29 1 0 0 0 0
15 19 1 0 0 0 0
15 30 1 0 0 0 0
16 18 2 0 0 0 0
16 31 1 0 0 0 0
17 19 2 0 0 0 0
17 32 1 0 0 0 0
18 33 1 0 0 0 0
19 34 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 36 1 0 0 0 0
22 24 2 0 0 0 0
22 37 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
M END
$$$$