B6LJN7 -OEChem-04022117503D 56 59 0 1 0 0 0 0 0999 V2000 -2.9423 2.5169 1.0283 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7384 0.9839 -0.6870 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 2.4056 -0.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2815 -1.1142 2.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6226 -1.1731 -0.3441 N 0 0 2 0 0 0 0 0 0 0 0 0 3.1381 0.1579 -0.8734 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.1605 1.2999 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -0.6544 -0.0133 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6440 -1.8306 0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 -2.6332 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0580 -1.8886 0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4787 -0.2422 -1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5708 -0.1308 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9421 -0.7061 -1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 1.4727 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3978 1.7112 -0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 0.8562 0.9062 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7041 0.9027 0.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6381 0.6853 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2783 2.1616 0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9534 0.4890 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 2.9621 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -0.1939 1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5052 3.1899 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 -0.6086 -0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -0.2944 -0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 -1.9420 -0.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2843 -1.3137 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5180 -2.9613 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8753 -2.6472 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3658 0.1903 0.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0576 -2.4713 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9761 -1.4827 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 -2.7139 2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7949 -3.6486 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 -1.1993 1.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8707 -2.5951 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3849 -1.0714 -1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9571 0.5914 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2248 0.3701 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6548 0.6387 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -0.5658 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4371 -1.0749 -0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8903 -1.5232 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5881 0.0706 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5799 0.8999 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0715 -0.2895 0.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 0.1772 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 1.3562 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 3.7755 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.9714 1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9262 4.1800 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5155 -2.2020 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3410 -1.0689 -0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1995 -3.9995 -0.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6137 -3.4407 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 26 1 0 0 0 0 3 15 2 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 42 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 7 51 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 23 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 47 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 2 0 0 0 0 22 50 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 53 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$