BX30LM
-OEChem-04012114182D
51 53 0 1 0 0 0 0 0999 V2000
6.1808 -2.3072 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.6928 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 3.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9487 -0.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9487 1.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 1.4481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5766 -0.3072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.8820 -4.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.1928 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.9930 -1.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 2.1874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5000 2.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 2.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3037 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5766 -0.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2822 -2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 4.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5928 -3.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5713 -3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0570 1.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6916 2.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9336 2.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1675 0.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9791 0.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 1.8937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.0685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5498 2.3307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7962 3.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.3128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 -1.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6898 -2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2831 -2.6821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8960 -2.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3027 -1.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1714 4.0430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2173 4.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3417 4.9645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9790 -3.3065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5723 -3.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1852 -3.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5919 -2.8057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4887 -4.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 4 2 0 0 0 0
2 5 2 0 0 0 0
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3 15 1 0 0 0 0
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6 23 2 0 0 0 0
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27 48 1 0 0 0 0
28 49 1 0 0 0 0
28 50 1 0 0 0 0
M END
$$$$