B86FPX
-OEChem-04012119092D
46 48 0 0 0 0 0 0 0999 V2000
3.7320 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
2 17 1 0 0 0 0
3 23 1 0 0 0 0
6 16 2 0 0 0 0
7 10 1 0 0 0 0
7 11 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
8 14 1 0 0 0 0
9 16 1 0 0 0 0
9 22 1 0 0 0 0
9 39 1 0 0 0 0
10 12 1 0 0 0 0
10 28 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 32 1 0 0 0 0
12 33 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 16 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 17 1 0 0 0 0
15 18 2 0 0 0 0
17 19 2 0 0 0 0
18 20 1 0 0 0 0
18 38 1 0 0 0 0
19 21 1 0 0 0 0
19 40 1 0 0 0 0
20 21 2 0 0 0 0
20 41 1 0 0 0 0
21 42 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
23 25 2 0 0 0 0
24 26 1 0 0 0 0
24 43 1 0 0 0 0
25 27 1 0 0 0 0
25 44 1 0 0 0 0
26 27 2 0 0 0 0
26 45 1 0 0 0 0
27 46 1 0 0 0 0
M END
$$$$