B98TOB -OEChem-04012113523D 41 43 0 1 0 0 0 0 0999 V2000 1.8469 -2.7976 -0.1472 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.6812 1.7062 -0.8332 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 -3.8601 -1.1408 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 -3.1260 1.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9044 4.3698 -0.2950 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9038 3.1466 -2.1230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6066 0.1791 1.7005 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 -1.5269 -0.6133 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0306 3.2682 -0.8811 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9361 0.7500 0.3879 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6192 -0.2620 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 -0.8690 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5673 -0.8043 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 -0.0520 1.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4142 1.1334 0.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 -1.3931 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6659 -1.5521 -1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 -2.0620 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -2.1433 -1.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7649 -0.2491 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 0.8753 -0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 -0.1522 1.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3294 2.1144 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 1.0867 2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 2.2200 1.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3478 1.6630 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 0.2407 -1.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3507 -1.0807 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -0.6091 2.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6472 0.9121 1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1002 -0.7061 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 -1.3269 1.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6524 1.8623 1.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0716 0.2656 0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 -1.6245 -2.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 -2.6558 -2.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1490 -1.4815 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3615 0.7649 -1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1703 -1.0121 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8902 1.1698 3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3724 3.1684 1.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 8 20 1 0 0 0 0 8 37 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$