BUB93M
-OEChem-04022108173D
40 42 0 0 0 0 0 0 0999 V2000
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5.2706 0.1615 0.4108 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9537 0.6295 -2.6294 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1478 0.1387 -0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3137 0.1304 -0.3030 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0989 0.0195 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7996 1.3102 0.2787 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8906 -1.0253 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3733 -0.2629 0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3712 0.3779 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1834 1.3179 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2742 -1.0175 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9206 0.1540 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0401 -0.6079 1.9753 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1593 -0.3842 0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4338 -0.6679 1.9907 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6204 2.6855 1.8195 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8478 -3.0603 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9627 -1.0630 0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6889 2.2304 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7934 -1.9524 -0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0767 0.1771 -1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2444 -0.4320 0.8486 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.7763 0.7182 -2.4190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0973 1.8094 2.2134 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0788 3.5257 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4524 2.9463 2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7065 -3.5924 0.7423 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 -2.5217 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1629 -3.7928 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8716 -1.3795 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6504 -1.8453 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0253 -0.8749 0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0
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24 40 1 0 0 0 0
M END
$$$$