B6S5QU -OEChem-04012114003D 32 33 0 0 0 0 0 0 0999 V2000 1.4464 -0.3081 -1.3080 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6353 0.3595 -0.6939 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 2.5254 0.6812 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.8395 1.5713 -0.0939 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 0.6981 1.6078 F 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 0.6579 -1.8165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 -1.1565 -2.2383 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 1.1925 -1.8543 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 -0.9318 -0.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1758 0.2257 0.2071 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4982 -3.6182 0.7274 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5766 -1.4336 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 -1.0698 0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5842 0.5952 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 -2.6914 -0.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2337 -1.9962 1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 0.1138 -0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1965 1.7972 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6101 1.3250 0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6516 -3.2454 1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7892 0.8345 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 2.5181 1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 2.0367 1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5019 0.9829 0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0144 -3.0259 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1553 -1.7598 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2015 -0.8231 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 2.2050 0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 -4.0031 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 0.4592 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8045 3.4553 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1091 2.5980 1.8132 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 12 1 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 10 1 0 0 0 0 2 19 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 13 1 0 0 0 0 10 24 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 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 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 21 1 0 0 0 0 17 27 1 0 0 0 0 18 22 2 0 0 0 0 18 28 1 0 0 0 0 20 29 1 0 0 0 0 21 23 2 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M END $$$$