B27AWU
-OEChem-04022104522D
60 64 0 1 0 0 0 0 0999 V2000
5.6103 3.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 -2.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9030 -2.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6138 1.3606 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.6783 -0.8676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9244 2.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2816 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2601 0.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9280 0.0782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5708 1.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9065 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5493 1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2171 1.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -2.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6353 -1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -3.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6138 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9244 -2.4367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2136 -3.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1089 0.8267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8665 0.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4714 2.0191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 2.7990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7830 3.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0254 3.6306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7553 0.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5129 0.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5749 2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -0.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7354 -0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1567 2.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3206 -0.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7419 2.5685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8238 1.3628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8640 -3.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4427 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4492 -3.7704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0279 -1.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6243 -3.7861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4062 -4.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8029 -3.4009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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6 36 1 0 0 0 0
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9 11 1 0 0 0 0
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10 16 1 0 0 0 0
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12 13 1 0 0 0 0
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20 47 1 0 0 0 0
21 27 2 0 0 0 0
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22 25 1 0 0 0 0
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26 28 2 0 0 0 0
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34 58 1 0 0 0 0
34 59 1 0 0 0 0
34 60 1 0 0 0 0
M END
$$$$