L82JQS
-OEChem-05022323232D
55 58 0 0 0 0 0 0 0999 V2000
11.5884 -0.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7166 1.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -3.9330 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
2.0000 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6260 -3.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6260 -1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.5878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -1.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 -1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9961 -1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1243 -0.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9884 0.4672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8564 -0.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7205 0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -2.4593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.1496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8291 -3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0560 -4.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9030 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8291 -4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6760 -4.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9030 -3.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6188 -3.7216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6188 -0.4124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0678 -2.8999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3938 -0.4228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2665 -2.1595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9985 -2.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5862 0.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 -1.3374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9860 1.0872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 4.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.1241 0.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 1 0 0 0 0
1 55 1 0 0 0 0
2 31 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
4 9 1 0 0 0 0
4 32 1 0 0 0 0
4 33 1 0 0 0 0
5 8 2 0 0 0 0
5 11 1 0 0 0 0
6 34 1 0 0 0 0
6 35 1 0 0 0 0
6 36 1 0 0 0 0
7 37 1 0 0 0 0
7 38 1 0 0 0 0
7 39 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 10 2 0 0 0 0
9 40 1 0 0 0 0
10 15 1 0 0 0 0
11 14 2 0 0 0 0
11 41 1 0 0 0 0
12 13 2 0 0 0 0
12 42 1 0 0 0 0
13 14 1 0 0 0 0
13 16 1 0 0 0 0
14 43 1 0 0 0 0
15 18 3 0 0 0 0
16 17 2 0 0 0 0
16 44 1 0 0 0 0
17 19 1 0 0 0 0
17 45 1 0 0 0 0
18 20 1 0 0 0 0
19 21 2 0 0 0 0
19 22 1 0 0 0 0
20 23 2 0 0 0 0
20 24 1 0 0 0 0
21 25 1 0 0 0 0
21 46 1 0 0 0 0
22 26 2 0 0 0 0
22 47 1 0 0 0 0
23 28 1 0 0 0 0
23 50 1 0 0 0 0
24 29 2 0 0 0 0
24 51 1 0 0 0 0
25 27 2 0 0 0 0
25 48 1 0 0 0 0
26 27 1 0 0 0 0
26 49 1 0 0 0 0
27 31 1 0 0 0 0
28 30 2 0 0 0 0
28 52 1 0 0 0 0
29 30 1 0 0 0 0
29 53 1 0 0 0 0
30 54 1 0 0 0 0
M END
$$$$