B3NPE5 -OEChem-04022113553D 28 29 0 0 0 0 0 0 0999 V2000 -2.9091 -3.2956 -0.0117 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7276 0.2157 2.3676 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8032 -0.7015 -2.0615 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 0.8227 -0.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4439 2.7702 -0.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -0.7133 -0.0734 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 0.6366 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0161 1.5799 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 -0.0042 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 0.4012 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 0.6400 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 1.5523 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0484 -0.4752 -0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5596 -0.8808 1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7269 1.1285 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3452 -1.1163 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 -1.6581 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 0.2124 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 -1.1145 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 2.2487 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0817 2.1976 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 0.8918 -1.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7904 -1.3797 2.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2900 -1.0324 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9477 2.1890 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 -1.7987 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8409 0.6305 -0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4992 -1.7988 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 9 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 6 11 1 0 0 0 0 6 17 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 13 16 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$