B8SML1 -OEChem-04022111013D 32 34 0 1 0 0 0 0 0999 V2000 -4.2141 0.1360 1.0784 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0818 1.9720 -1.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -0.6718 -0.1855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -2.1444 -1.3602 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 0.8192 0.3677 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 1.3962 1.1436 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9373 2.5236 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7318 1.8145 -0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9193 -0.5170 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1019 -1.0624 0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 -1.2187 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 -2.4659 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -1.2564 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7366 -0.5471 -0.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 0.5674 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3587 -1.0021 0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3669 1.2271 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4848 -0.3424 1.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 0.7721 0.7527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 1.7002 2.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7029 3.5200 0.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 2.5720 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0493 -2.8266 1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7679 -3.1622 0.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3162 -2.5253 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4829 -1.1697 -1.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 -2.3230 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 0.9328 -1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.8680 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 2.0953 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -0.6962 2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8657 1.2858 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 8 2 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$