B9WA7J
-OEChem-04022103042D
51 54 0 1 0 0 0 0 0999 V2000
4.2690 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -4.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 1.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -0.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3648 1.2112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1229 4.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3312 -1.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.2857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -2.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4030 -1.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1350 -1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5369 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 1.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2250 1.7212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0171 2.7558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2170 2.7628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1191 3.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -0.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -3.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8469 -0.7487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2269 -1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -3.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5576 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.8343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6788 3.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.4057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8243 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5872 4.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8681 -1.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
1 15 1 0 0 0 0
15 2 1 1 0 0 0
2 17 1 0 0 0 0
11 3 1 6 0 0 0
3 40 1 0 0 0 0
12 4 1 1 0 0 0
4 41 1 0 0 0 0
13 5 1 6 0 0 0
5 42 1 0 0 0 0
6 18 1 0 0 0 0
6 21 1 0 0 0 0
7 19 2 0 0 0 0
8 23 1 0 0 0 0
8 49 1 0 0 0 0
9 28 1 0 0 0 0
9 50 1 0 0 0 0
10 31 1 0 0 0 0
10 51 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
11 32 1 0 0 0 0
12 14 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
14 16 1 6 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
16 37 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 22 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
20 23 2 0 0 0 0
21 24 2 0 0 0 0
22 25 2 0 0 0 0
22 26 1 0 0 0 0
23 27 1 0 0 0 0
24 28 1 0 0 0 0
24 43 1 0 0 0 0
25 29 1 0 0 0 0
25 44 1 0 0 0 0
26 30 2 0 0 0 0
26 45 1 0 0 0 0
27 28 2 0 0 0 0
27 46 1 0 0 0 0
29 31 2 0 0 0 0
29 47 1 0 0 0 0
30 31 1 0 0 0 0
30 48 1 0 0 0 0
M END
$$$$