B8BHP3 -OEChem-04022115303D 45 48 0 0 0 0 0 0 0999 V2000 -2.9723 2.1135 -1.5741 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 -4.3807 -0.4768 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -3.6150 1.5002 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3415 -4.0807 0.9932 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 1.3513 1.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 2.0092 -3.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9597 2.7611 -0.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 0.5822 -1.8734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 2.8080 -1.3040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3062 0.8169 -0.3244 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6099 -1.1944 -1.3374 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3301 -0.0633 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 -1.2951 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 0.1532 1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 0.4658 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8482 2.7288 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9282 1.9999 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3702 2.0770 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7027 -2.3752 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4813 -0.9299 1.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3043 -0.5387 -1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0074 0.1711 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 0.1291 -1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 -2.1325 -0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 -2.1799 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5087 3.3039 1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -1.8377 -1.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8303 -1.1280 0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 2.5747 2.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9507 3.2268 2.3641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 -3.5217 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7465 2.7169 -2.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4015 1.7830 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9654 -1.9464 -1.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8801 1.6472 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 -3.3342 -0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6698 -0.8286 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0861 -0.3298 -2.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3582 0.9337 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 -3.0060 0.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 3.8418 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -2.6051 -2.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0384 -1.3483 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6983 2.5182 3.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 3.6797 3.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 8 23 2 0 0 0 0 9 16 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 18 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 29 2 0 0 0 0 18 35 1 0 0 0 0 19 25 2 0 0 0 0 19 36 1 0 0 0 0 20 25 1 0 0 0 0 20 37 1 0 0 0 0 21 27 1 0 0 0 0 21 38 1 0 0 0 0 22 28 2 0 0 0 0 22 39 1 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 24 31 1 0 0 0 0 25 40 1 0 0 0 0 26 30 2 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 45 1 0 0 0 0 M END $$$$