B4OMP3 -OEChem-04022101482D 78 83 0 1 0 0 0 0 0999 V2000 4.5981 1.4796 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2152 -1.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -3.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4432 2.4487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4869 2.8646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 -0.5204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.8864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8303 -2.9691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4213 2.2408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7303 1.2898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0904 2.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7085 1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0686 2.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 1.7056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1341 3.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3776 1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7959 1.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1560 3.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5087 3.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8396 2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.3864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8614 2.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1486 1.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1923 1.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4795 0.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2371 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5013 0.8430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1631 -0.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8358 -2.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8322 0.0999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0064 1.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1164 1.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7087 0.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3227 3.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5646 3.3125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4762 0.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2343 0.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6825 2.8623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0902 3.3957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5418 1.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2998 1.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7481 3.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1558 4.0194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7593 1.3364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9250 2.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1819 1.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7742 1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 4.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6302 3.9362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7410 3.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9829 3.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 -0.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 0.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6698 3.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7551 1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1593 -1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9477 -1.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5858 1.9230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6711 0.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0615 -1.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -3.5060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.5573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 29 2 0 0 0 0 3 33 2 0 0 0 0 4 36 2 0 0 0 0 5 40 1 0 0 0 0 5 42 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 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0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 M END $$$$