BUF80V -OEChem-04022118373D 49 52 0 1 0 0 0 0 0999 V2000 -0.6085 -2.8338 1.0362 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6437 4.9664 1.0913 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4441 -0.8322 -0.2955 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6369 -1.2414 0.2146 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8784 -1.1245 -0.5322 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 0.3037 -1.2078 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0601 0.4365 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5592 -0.5303 -0.3609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 1.5388 -0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 -0.6488 -0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6825 -1.4993 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4836 2.0305 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 2.1993 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8974 0.1350 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -1.5456 0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0597 3.1826 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 3.3515 -0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1123 3.8430 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2024 -1.2077 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2603 0.0219 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7837 -1.6587 1.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2804 -1.3872 -0.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -0.8750 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 -1.1075 1.3369 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5773 -1.4665 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 -1.4974 -2.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7184 -1.1869 1.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7963 -1.3664 0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 0.0569 -2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4483 1.4499 -1.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 0.0574 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 1.5364 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4866 1.8275 -2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.8120 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 0.8401 -1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -2.1674 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3449 3.5548 2.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4421 3.8610 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9770 0.6307 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1291 -2.3569 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7645 -0.9634 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 -0.9168 2.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4289 -1.6046 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -0.5491 -2.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 -2.2945 -2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0077 -1.7401 -2.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8904 -1.0971 2.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8064 -1.4251 1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1717 5.1621 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 18 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 4 8 2 0 0 0 0 5 11 1 0 0 0 0 5 19 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 12 32 1 0 0 0 0 13 17 2 0 0 0 0 13 33 1 0 0 0 0 14 20 1 0 0 0 0 14 35 1 0 0 0 0 15 21 2 0 0 0 0 15 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 19 22 1 0 0 0 0 19 24 2 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$