B8YMS5
-OEChem-04012115062D
53 57 0 1 0 0 0 0 0999 V2000
11.7681 1.2893 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 1.0534 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.4108 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 0.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5601 2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9760 0.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0000 -0.6787 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.0000 -2.4108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.4809 -1.4877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0687 -0.6787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7899 1.0814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.1529 2.4108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.3554 1.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -0.6787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5000 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5000 -1.5447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5000 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0000 -0.6787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5836 0.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5836 -1.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5298 -0.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5298 -1.1787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -0.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4809 0.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5000 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.1873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7462 1.4972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4893 0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1475 2.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3100 -1.2156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 -2.1553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 -1.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8800 -1.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0826 0.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3923 0.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6900 -0.1418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8346 0.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0462 0.4353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0462 -1.7926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8346 -2.0503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3100 -2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3800 -2.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6725 -2.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8100 -2.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3750 1.5421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1900 0.7243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3800 -0.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8429 2.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4245 0.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5623 2.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 11 1 0 0 0 0
1 30 1 0 0 0 0
2 25 1 0 0 0 0
3 27 1 0 0 0 0
4 17 1 0 0 0 0
4 18 1 0 0 0 0
14 7 1 6 0 0 0
7 19 1 0 0 0 0
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16 8 1 6 0 0 0
8 44 1 0 0 0 0
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18 23 1 1 0 0 0
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20 42 1 0 0 0 0
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21 22 2 0 0 0 0
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27 29 1 0 0 0 0
28 29 2 0 0 0 0
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29 50 1 0 0 0 0
30 31 2 0 0 0 0
31 52 1 0 0 0 0
32 53 1 0 0 0 0
M END
$$$$