B81GRY
-OEChem-04012114372D
63 65 0 1 0 0 0 0 0999 V2000
4.9764 1.6556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3973 0.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6706 2.0157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7096 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7986 -0.6579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 3.3029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
6.9796 1.0647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9796 1.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4796 2.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 4.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2886 2.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7195 2.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 4.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7026 4.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3918 0.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2108 -1.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6175 -2.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0297 -3.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4365 -4.1030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8487 -4.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0298 2.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3672 1.1616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9148 0.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5861 0.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8945 3.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0648 3.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5956 3.5853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6823 4.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8550 1.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5986 2.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 5.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 5.5017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6378 5.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 4.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4152 -0.7227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7801 -1.0209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6968 -1.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0482 -2.8265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1315 -2.0338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5990 -2.7435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5157 -3.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 2.2922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8672 -4.5490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9505 -3.7563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -4.5476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4842 -5.4136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3503 -5.2765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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3 22 1 0 0 0 0
4 18 2 0 0 0 0
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8 12 1 0 0 0 0
8 14 1 1 0 0 0
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27 29 2 0 0 0 0
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29 30 1 0 0 0 0
29 62 1 0 0 0 0
30 63 1 0 0 0 0
M END
$$$$