D0GD8S
-OEChem-10101305022D
55 59 0 0 0 0 0 0 0999 V2000
7.6224 0.9978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5582 3.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5521 -1.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8161 2.5870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1305 -3.5939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7457 1.5940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5521 0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6059 -0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8628 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6059 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8628 1.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1358 -0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8413 -2.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2764 2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1520 -3.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2764 2.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7399 -1.4756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7399 0.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8144 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 2.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8656 2.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6914 1.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8739 -0.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8739 0.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9021 3.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4411 -4.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7983 -2.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1590 4.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2079 4.2354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2490 -2.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8422 -2.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7558 -0.4757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4551 -2.3498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8619 -1.8175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5382 -3.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1314 -4.0073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7399 -2.0956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7399 1.1444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3183 2.9505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8830 0.6980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3369 -1.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3369 0.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2448 1.2287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4918 4.0668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4103 3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8518 -4.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2598 -3.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2124 -2.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3368 -2.4355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6337 -5.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0305 -4.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2879 5.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7472 4.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 2 0 0 0 0
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3 9 1 0 0 0 0
3 12 1 0 0 0 0
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11 14 2 0 0 0 0
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12 34 1 0 0 0 0
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18 25 1 0 0 0 0
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20 22 1 0 0 0 0
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22 27 2 0 0 0 0
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27 31 1 0 0 0 0
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28 48 1 0 0 0 0
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29 49 1 0 0 0 0
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29 51 1 0 0 0 0
30 31 2 0 0 0 0
30 54 1 0 0 0 0
31 55 1 0 0 0 0
M END
$$$$