B27KPR
-OEChem-04012113412D
52 54 0 1 0 0 0 0 0999 V2000
9.9651 -0.9790 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -2.3450 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.9651 -2.7110 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.2690 -1.8450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.1550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -1.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4030 -0.3450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.0010 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6720 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -0.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 0.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8059 0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6116 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2131 -1.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3905 0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7890 -0.4276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4040 2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 29 1 0 0 0 0
2 29 1 0 0 0 0
3 29 1 0 0 0 0
12 4 1 6 0 0 0
4 16 1 0 0 0 0
10 5 1 1 0 0 0
5 39 1 0 0 0 0
13 6 1 6 0 0 0
6 40 1 0 0 0 0
14 7 1 1 0 0 0
7 41 1 0 0 0 0
8 15 1 0 0 0 0
8 42 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 15 1 6 0 0 0
9 30 1 0 0 0 0
10 13 1 0 0 0 0
10 31 1 0 0 0 0
11 12 1 0 0 0 0
11 32 1 0 0 0 0
11 33 1 0 0 0 0
12 14 1 0 0 0 0
12 34 1 0 0 0 0
13 14 1 0 0 0 0
13 35 1 0 0 0 0
14 36 1 0 0 0 0
15 37 1 0 0 0 0
15 38 1 0 0 0 0
16 17 1 0 0 0 0
16 18 2 0 0 0 0
17 19 1 0 0 0 0
17 20 2 0 0 0 0
18 21 1 0 0 0 0
18 43 1 0 0 0 0
19 22 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 23 1 0 0 0 0
20 46 1 0 0 0 0
21 23 2 0 0 0 0
21 47 1 0 0 0 0
22 24 2 0 0 0 0
22 25 1 0 0 0 0
23 48 1 0 0 0 0
24 26 1 0 0 0 0
24 49 1 0 0 0 0
25 27 2 0 0 0 0
25 50 1 0 0 0 0
26 28 2 0 0 0 0
26 51 1 0 0 0 0
27 28 1 0 0 0 0
27 52 1 0 0 0 0
28 29 1 0 0 0 0
M END
$$$$