B5S2NX -OEChem-04022104553D 40 43 0 0 0 0 0 0 0999 V2000 4.7527 -1.0594 -1.1415 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6682 1.3604 1.5509 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9357 -0.6073 0.1576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8394 -2.6339 0.5372 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 -0.4696 -0.4118 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1942 0.8111 -2.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2006 0.3203 -1.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 1.6965 -1.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8017 1.0458 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 0.0120 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2568 -1.6515 0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0316 1.5316 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -0.4911 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2157 -1.7544 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6072 1.0014 1.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9497 -0.0071 1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0519 -2.8391 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2458 -0.9635 0.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 -2.3256 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 0.1189 0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4222 0.0302 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8553 1.2593 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 1.0819 -0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7663 2.3110 1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 2.2223 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 -0.0489 -2.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6774 1.3662 -3.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -0.2916 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 1.1624 -1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 2.6512 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 1.9122 -2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5459 2.3328 -0.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2372 -1.2517 1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5577 1.3819 1.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3841 -0.4156 2.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7536 -3.8726 -0.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2893 -2.8905 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2978 1.0126 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 3.1988 1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 3.0411 0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 11 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 12 32 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$