B9ZX0A
-OEChem-04012113492D
40 43 0 0 0 0 0 0 0999 V2000
9.1327 -1.2443 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3604 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.4308 -3.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 3.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 1.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 0.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0772 -1.6146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3717 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0567 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3991 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3717 -1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0627 -0.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8717 1.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6868 -1.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0473 0.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7435 -2.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6663 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3444 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0057 2.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7224 -2.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4630 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3309 -2.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1268 -1.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2186 0.4786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4565 0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5267 -2.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2830 -2.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9473 -0.9137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7783 -0.1335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4823 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0838 2.0828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8852 -2.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8626 0.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7384 -0.4928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3958 -3.4446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8963 -2.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4688 3.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5434 -0.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
1 25 1 0 0 0 0
2 19 1 0 0 0 0
3 18 2 0 0 0 0
4 21 1 0 0 0 0
4 39 1 0 0 0 0
5 21 2 0 0 0 0
6 8 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
7 11 1 0 0 0 0
7 12 1 0 0 0 0
7 18 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 0 0 0 0
10 12 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 14 2 0 0 0 0
13 16 1 0 0 0 0
14 17 1 0 0 0 0
15 21 1 0 0 0 0
15 32 1 0 0 0 0
15 33 1 0 0 0 0
16 19 2 0 0 0 0
16 34 1 0 0 0 0
17 20 2 0 0 0 0
17 35 1 0 0 0 0
18 22 1 0 0 0 0
19 20 1 0 0 0 0
20 36 1 0 0 0 0
22 23 2 0 0 0 0
23 24 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 40 1 0 0 0 0
M END
$$$$