B0YKS9
-OEChem-04022100582D
50 52 0 0 0 0 0 0 0999 V2000
8.9282 -3.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -1.2010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -2.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 -4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 -2.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -4.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 3.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 3.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3860 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9875 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8626 4.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0656 4.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 0.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 1.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -3.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -4.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4842 -4.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -4.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1042 -3.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 22 1 0 0 0 0
1 28 1 0 0 0 0
2 23 1 0 0 0 0
3 23 1 0 0 0 0
4 23 1 0 0 0 0
7 16 1 0 0 0 0
7 17 1 0 0 0 0
7 42 1 0 0 0 0
8 17 2 0 0 0 0
8 19 1 0 0 0 0
9 19 2 0 0 0 0
9 20 1 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 16 1 0 0 0 0
10 29 1 0 0 0 0
11 13 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 14 1 0 0 0 0
12 32 1 0 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
16 40 1 0 0 0 0
16 41 1 0 0 0 0
17 18 1 0 0 0 0
18 20 2 0 0 0 0
18 43 1 0 0 0 0
19 21 1 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 26 2 0 0 0 0
22 27 1 0 0 0 0
24 26 1 0 0 0 0
24 44 1 0 0 0 0
25 27 2 0 0 0 0
25 45 1 0 0 0 0
26 46 1 0 0 0 0
27 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
M END
$$$$