B9QN6R -OEChem-04012112583D 27 27 0 0 0 0 0 0 0999 V2000 -3.4754 0.7004 -0.0456 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9132 -0.4145 0.0288 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.3479 -1.4391 1.1299 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6932 -0.5901 -0.3627 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9079 -1.6721 -0.9959 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4595 1.2204 -1.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 1.4959 1.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6868 0.7624 0.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 -1.6610 0.7586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 1.0121 0.1677 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9298 0.0757 0.3475 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1333 -0.7174 -1.6383 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 0.6739 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 0.0047 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 1.6682 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9053 -0.6549 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8248 1.3335 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 -0.9895 0.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3886 -0.8086 -0.0688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1766 2.7070 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -1.4515 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 2.1230 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 -2.0314 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 1.9938 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 -0.4226 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6806 -0.0361 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -1.6916 -1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 19 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 M END $$$$