D2K6DU -OEChem-06062108583D 27 28 0 0 0 0 0 0 0999 V2000 1.0445 1.0742 0.9012 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 -1.4516 1.2853 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8807 0.1092 2.4864 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9153 1.4069 -1.5773 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8381 3.3861 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5462 -3.3245 0.4214 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4989 -2.9282 -1.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 -2.5320 -0.3764 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8933 -1.1612 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8423 -0.6091 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5414 1.0682 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8776 -0.1895 -0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 -0.5870 0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 2.2918 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 0.0922 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9379 -0.5926 -0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9083 0.7659 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 0.0810 -1.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6114 2.3399 -0.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9394 0.7602 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7851 -0.4091 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1852 -1.1201 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6754 1.2947 1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 0.0759 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 2.0179 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 1.6917 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 3.3639 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 4 20 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 18 2 0 0 0 0 16 22 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 2 6 -1 8 1 M END $$$$