D06MLU
-OEChem-10101305022D
57 59 0 1 0 0 0 0 0999 V2000
7.1962 -2.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4725 -0.3853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4725 -1.9947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1962 -0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5263 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0561 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5252 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3267 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5297 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.1650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2742 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6728 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9841 1.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5856 0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2573 -2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6603 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5170 -1.6047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.5170 -0.7753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 2.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 3.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
1 44 1 0 0 0 0
2 13 1 0 0 0 0
2 45 1 0 0 0 0
3 20 1 0 0 0 0
3 26 1 0 0 0 0
4 22 1 0 0 0 0
4 26 1 0 0 0 0
5 23 1 0 0 0 0
5 27 1 0 0 0 0
6 24 1 0 0 0 0
6 28 1 0 0 0 0
7 25 1 0 0 0 0
7 29 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 1 0 0 0
8 30 1 0 0 0 0
9 11 1 0 0 0 0
9 13 1 1 0 0 0
9 31 1 0 0 0 0
10 14 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 15 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 20 1 0 0 0 0
16 40 1 0 0 0 0
17 21 2 0 0 0 0
17 41 1 0 0 0 0
18 24 1 0 0 0 0
18 42 1 0 0 0 0
19 23 2 0 0 0 0
19 43 1 0 0 0 0
20 22 2 0 0 0 0
21 22 1 0 0 0 0
21 46 1 0 0 0 0
23 25 1 0 0 0 0
24 25 2 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
28 52 1 0 0 0 0
28 53 1 0 0 0 0
28 54 1 0 0 0 0
29 55 1 0 0 0 0
29 56 1 0 0 0 0
29 57 1 0 0 0 0
M END
$$$$