BI98CZ
-OEChem-04012114363D
43 45 0 0 0 0 0 0 0999 V2000
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5.5687 1.7978 1.3095 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.3185 1.4419 0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2250 1.6535 1.2209 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2467 1.6303 -1.1949 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6134 1.5203 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.0461 -2.3454 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0017 -2.8140 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2297 3.3098 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3307 -0.4825 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3205 4.0080 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6898 1.7110 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7327 1.6900 -2.1522 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1249 1.4727 2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1630 1.4345 -2.1286 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3546 -0.4069 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2453 -1.1396 1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9500 -2.6773 -1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6910 -3.5082 1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0270 4.3845 -0.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8879 -0.9207 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4087 -0.6573 0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8800 -0.9029 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5273 -5.7332 -2.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 41 1 0 0 0 0
M END
$$$$