B3KVQ8 -OEChem-04012113293D 29 30 0 0 0 0 0 0 0999 V2000 1.0726 -1.9035 0.4143 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.2439 0.0252 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0729 -1.2967 -1.1288 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 -1.3686 1.0496 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 0.3247 -0.3882 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6209 0.8179 0.1691 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4968 -0.1759 -0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1283 -0.6029 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3059 0.4052 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -0.2491 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 0.3762 0.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 -0.3535 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7186 0.2794 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 1.7971 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 -1.8651 0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 1.6713 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 2.4302 0.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 -0.5307 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0444 -1.0202 -1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.5922 -1.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3702 -0.3910 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 1.2204 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -1.4375 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5197 2.4100 0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -2.7397 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 2.1846 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6771 3.5139 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 1.5302 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1283 0.0407 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 18 1 0 0 0 0 14 17 2 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$