B4AYO1
-OEChem-04012116132D
57 60 0 1 0 0 0 0 0999 V2000
2.8680 -0.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 2.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3263 -0.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.4879 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
12.4602 0.4879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.0121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 2.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -1.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -2.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 1.9879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7282 1.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8718 3.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -0.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -0.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8747 1.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4762 2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9995 2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7316 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5287 -0.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -0.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 2.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -1.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -1.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4592 1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9951 -2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2651 1.7979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3991 -1.3221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 0.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 -0.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4918 3.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8742 3.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2518 3.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5942 -0.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8632 0.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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9 11 1 0 0 0 0
9 14 2 0 0 0 0
10 11 1 0 0 0 0
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12 16 1 0 0 0 0
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12 38 1 0 0 0 0
13 19 2 0 0 0 0
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15 18 1 0 0 0 0
15 40 1 0 0 0 0
16 21 2 0 0 0 0
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20 24 2 0 0 0 0
20 42 1 0 0 0 0
21 26 1 0 0 0 0
22 27 2 0 0 0 0
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26 28 2 0 0 0 0
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27 28 1 0 0 0 0
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28 48 1 0 0 0 0
29 50 1 0 0 0 0
29 51 1 0 0 0 0
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30 53 1 0 0 0 0
30 54 1 0 0 0 0
30 55 1 0 0 0 0
31 56 1 0 0 0 0
M END
$$$$