BJ5OM7
-OEChem-04012112512D
40 46 0 1 0 0 0 0 0999 V2000
7.2644 -0.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5318 2.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -0.4656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5103 -1.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2641 0.5344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5321 0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.5344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3981 2.0344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2641 1.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1741 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3820 -1.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 -1.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2801 -1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6821 -2.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7841 -2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8820 -2.0140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9121 1.5343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7082 2.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7858 -0.0738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3787 0.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3957 -1.5961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7922 -0.9032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8791 -2.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6774 -2.0108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.6890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2226 -2.3109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 0.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7864 -3.1548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3414 -2.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7 1 1 6 0 0 0
8 1 1 6 0 0 0
10 2 1 1 0 0 0
11 2 1 1 0 0 0
3 9 1 0 0 0 0
3 17 1 0 0 0 0
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4 18 1 0 0 0 0
5 12 2 0 0 0 0
6 14 2 0 0 0 0
7 8 1 0 0 0 0
7 9 1 0 0 0 0
7 14 1 0 0 0 0
8 12 1 0 0 0 0
8 13 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
10 27 1 0 0 0 0
11 12 1 0 0 0 0
11 28 1 0 0 0 0
13 15 1 0 0 0 0
13 29 1 0 0 0 0
13 30 1 0 0 0 0
14 16 1 0 0 0 0
15 16 1 0 0 0 0
15 31 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
16 34 1 0 0 0 0
17 19 1 0 0 0 0
17 20 2 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 35 1 0 0 0 0
21 24 1 0 0 0 0
21 36 1 0 0 0 0
22 25 1 0 0 0 0
22 26 1 0 0 0 0
23 25 2 0 0 0 0
23 37 1 0 0 0 0
24 26 2 0 0 0 0
24 38 1 0 0 0 0
25 39 1 0 0 0 0
26 40 1 0 0 0 0
M END
$$$$