D0MS0A
-OEChem-10101305022D
67 69 0 1 0 0 0 0 0999 V2000
4.4750 6.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 3.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 5.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8490 10.9858 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
3.5189 10.4858 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.9830 9.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3849 11.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2479 2.2690 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2479 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7479 4.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7479 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2479 4.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7479 4.8671 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.7479 3.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2479 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 4.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1643 5.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2181 4.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2181 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7479 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3521 3.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3521 5.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7479 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 4.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 5.3671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2479 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2479 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2479 0.5369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2479 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7479 1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 2.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 6.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2509 10.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1170 10.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9830 10.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3849 10.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5579 4.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3305 5.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6402 5.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0296 4.3148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8305 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1402 4.6116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2730 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2730 2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2228 2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2228 3.5335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6653 2.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3556 1.6584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9133 3.4954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7017 3.7531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1653 1.1909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8556 0.7924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3521 3.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3521 6.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9379 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5579 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5579 2.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3679 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 2.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 2.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 2.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 6.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6200 7.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 6.8671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1170 11.6058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2509 9.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 2 0 0 0 0
2 24 1 0 0 0 0
2 31 1 0 0 0 0
3 25 1 0 0 0 0
3 32 1 0 0 0 0
4 35 1 0 0 0 0
5 36 1 0 0 0 0
6 35 2 0 0 0 0
7 36 2 0 0 0 0
8 14 1 0 0 0 0
8 15 1 0 0 0 0
8 20 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
9 37 1 0 0 0 0
10 13 1 0 0 0 0
10 38 1 0 0 0 0
10 39 1 0 0 0 0
11 15 1 0 0 0 0
11 43 1 0 0 0 0
11 44 1 0 0 0 0
12 14 1 0 0 0 0
12 41 1 0 0 0 0
12 42 1 0 0 0 0
13 16 1 0 0 0 0
13 17 1 0 0 0 0
13 40 1 0 0 0 0
14 45 1 0 0 0 0
14 46 1 0 0 0 0
15 47 1 0 0 0 0
15 48 1 0 0 0 0
16 18 1 0 0 0 0
16 49 1 0 0 0 0
16 50 1 0 0 0 0
17 19 1 0 0 0 0
18 19 1 0 0 0 0
18 21 2 0 0 0 0
19 22 2 0 0 0 0
20 23 1 0 0 0 0
20 51 1 0 0 0 0
20 52 1 0 0 0 0
21 24 1 0 0 0 0
21 53 1 0 0 0 0
22 25 1 0 0 0 0
22 54 1 0 0 0 0
23 26 2 0 0 0 0
23 27 1 0 0 0 0
24 25 2 0 0 0 0
26 28 1 0 0 0 0
26 55 1 0 0 0 0
27 29 2 0 0 0 0
27 56 1 0 0 0 0
28 30 2 0 0 0 0
28 57 1 0 0 0 0
29 30 1 0 0 0 0
29 58 1 0 0 0 0
30 59 1 0 0 0 0
31 60 1 0 0 0 0
31 61 1 0 0 0 0
31 62 1 0 0 0 0
32 63 1 0 0 0 0
32 64 1 0 0 0 0
32 65 1 0 0 0 0
33 34 2 0 0 0 0
33 36 1 0 0 0 0
33 67 1 0 0 0 0
34 35 1 0 0 0 0
34 66 1 0 0 0 0
M CHG 2 4 -1 5 -1
M END
$$$$