D08AMQ
-OEChem-10111523202D
79 83 0 0 0 0 0 0 0999 V2000
7.3200 1.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0236 -1.8696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0236 -3.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4793 -3.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0021 3.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3454 0.8257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2114 -0.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2926 3.7472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7574 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 -1.0107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -1.8767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8338 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 -0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 -1.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7473 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6258 0.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 -1.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6428 -1.6688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6133 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4793 -1.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3690 1.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4793 -0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3454 -2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6748 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1611 2.3579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3454 -3.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2114 -1.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4669 1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0774 -2.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2100 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0774 -3.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2114 -3.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3454 -0.1743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0632 1.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6072 -2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8553 2.7180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5984 3.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9042 3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4793 -4.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3905 4.3653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6963 4.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0510 3.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4394 4.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5495 3.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3410 -0.3102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6128 -0.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4114 -2.3112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1396 -1.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7587 -1.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0305 -1.3389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1035 -2.0837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6133 0.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8688 -1.5666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2673 -2.2569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2140 0.6048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -2.0552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6356 -2.9213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5016 -2.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6218 2.7727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2114 -1.0543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8772 2.1894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2114 -4.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3917 1.2140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6380 1.9721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0681 -3.0890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0681 -2.2596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4435 2.6122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8593 -4.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4793 -5.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0993 -4.6743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8823 1.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8512 4.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1066 4.1968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2426 4.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4614 4.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8594 3.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3105 5.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1637 4.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 35 1 0 0 0 0
2 30 1 0 0 0 0
2 36 1 0 0 0 0
3 32 1 0 0 0 0
3 36 1 0 0 0 0
4 27 1 0 0 0 0
4 40 1 0 0 0 0
5 31 1 0 0 0 0
5 43 1 0 0 0 0
6 34 1 0 0 0 0
6 72 1 0 0 0 0
7 34 2 0 0 0 0
8 45 1 0 0 0 0
8 79 1 0 0 0 0
9 45 2 0 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
11 18 2 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 14 1 0 0 0 0
13 46 1 0 0 0 0
13 47 1 0 0 0 0
14 17 1 0 0 0 0
14 48 1 0 0 0 0
14 49 1 0 0 0 0
15 18 1 0 0 0 0
15 19 1 0 0 0 0
16 21 2 0 0 0 0
16 24 1 0 0 0 0
17 25 1 0 0 0 0
17 50 1 0 0 0 0
17 51 1 0 0 0 0
18 52 1 0 0 0 0
19 22 2 0 0 0 0
19 53 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
20 54 1 0 0 0 0
20 55 1 0 0 0 0
21 26 1 0 0 0 0
22 34 1 0 0 0 0
23 27 1 0 0 0 0
23 28 2 0 0 0 0
24 29 2 0 0 0 0
24 56 1 0 0 0 0
25 57 1 0 0 0 0
25 58 1 0 0 0 0
25 59 1 0 0 0 0
26 31 2 0 0 0 0
26 60 1 0 0 0 0
27 33 2 0 0 0 0
28 30 1 0 0 0 0
28 61 1 0 0 0 0
29 31 1 0 0 0 0
29 62 1 0 0 0 0
30 32 2 0 0 0 0
32 33 1 0 0 0 0
33 63 1 0 0 0 0
35 37 1 0 0 0 0
35 64 1 0 0 0 0
35 65 1 0 0 0 0
36 66 1 0 0 0 0
36 67 1 0 0 0 0
37 38 1 0 0 0 0
37 39 2 0 0 0 0
38 41 2 0 0 0 0
38 45 1 0 0 0 0
39 42 1 0 0 0 0
39 68 1 0 0 0 0
40 69 1 0 0 0 0
40 70 1 0 0 0 0
40 71 1 0 0 0 0
41 44 1 0 0 0 0
41 73 1 0 0 0 0
42 44 2 0 0 0 0
42 74 1 0 0 0 0
43 75 1 0 0 0 0
43 76 1 0 0 0 0
43 77 1 0 0 0 0
44 78 1 0 0 0 0
M END
$$$$