B8FIE1 -OEChem-04042104273D 53 54 0 0 0 0 0 0 0999 V2000 -5.2086 1.3408 -0.3348 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4664 -2.5825 -1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1233 -3.9415 -0.9446 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 2.6385 -0.3606 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1438 0.9776 -1.3874 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8526 2.4663 -0.0695 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5424 1.9103 1.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6126 -0.5593 0.0534 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0924 -2.9179 0.8639 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3499 1.6391 0.7303 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2053 -3.5178 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 -2.1478 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 -3.8750 1.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 -1.7975 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1228 0.4054 1.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9815 0.0925 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 -1.9456 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7294 1.7064 0.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0663 -3.0317 -0.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7082 0.3490 0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 -0.6701 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8086 -0.1507 -0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 -1.1831 -0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -2.2020 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6703 2.7258 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 1.8952 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0559 1.2155 1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 3.9341 -0.3398 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 3.1032 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9976 4.1228 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -3.5269 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 -4.2921 0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 -1.3724 0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0413 -2.1508 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6062 -4.8663 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2161 -3.9130 2.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 0.5681 1.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2815 0.0186 1.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1327 -2.1666 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7622 -0.4358 0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 0.5968 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2617 -0.9998 -1.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5466 0.2537 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2905 -1.4127 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6235 -3.1911 -1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6906 2.5973 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 1.1098 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4923 0.2187 1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3508 1.4018 2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8466 1.9687 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0367 4.7285 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 3.2502 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 5.0635 -1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 14 2 0 0 0 0 3 19 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 9 19 1 0 0 0 0 9 39 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 15 18 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 23 1 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 29 2 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$