B0EPW9
-OEChem-04022107092D
53 55 0 1 0 0 0 0 0999 V2000
4.4487 -0.6700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.2918 4.7882 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 2.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -1.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 0.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 0.0853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -1.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.1700 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -2.4747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 1.0324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.5767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -3.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -0.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 3.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -1.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -3.6315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -4.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5486 4.1191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -4.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 0.6023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 1.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 -0.9412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 -1.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 0.5308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 0.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 1.7259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -2.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -3.2900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -3.5126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -4.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0851 2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3314 3.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -3.5441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -3.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9790 -4.6693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5723 -5.2016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2201 4.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9738 3.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4435 -5.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1780 -4.9161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6992 -4.1815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 27 1 0 0 0 0
3 14 1 0 0 0 0
3 23 1 0 0 0 0
6 22 2 0 0 0 0
7 24 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
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13 35 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 16 2 0 0 0 0
15 18 1 0 0 0 0
16 17 1 0 0 0 0
16 38 1 0 0 0 0
17 19 2 0 0 0 0
17 22 1 0 0 0 0
18 20 2 0 0 0 0
18 39 1 0 0 0 0
19 20 1 0 0 0 0
20 40 1 0 0 0 0
21 25 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
22 24 1 0 0 0 0
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23 43 1 0 0 0 0
23 44 1 0 0 0 0
25 26 1 0 0 0 0
25 45 1 0 0 0 0
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26 28 1 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
28 51 1 0 0 0 0
28 52 1 0 0 0 0
28 53 1 0 0 0 0
M END
$$$$