BX2NC6 -OEChem-04022117133D 39 42 0 0 0 0 0 0 0999 V2000 4.5483 1.4671 1.3266 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5788 2.0751 -0.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 0.5220 -0.4353 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9481 -0.6458 -0.1423 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3786 -2.1205 -0.9852 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 0.1796 -1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0148 -0.4245 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 0.0983 -1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4082 -0.3122 0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 0.8842 -2.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1323 1.0307 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 1.0957 0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2287 -1.1375 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1943 0.4008 -0.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4768 0.5202 0.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 0.9945 -1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9744 -0.9163 1.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8081 -1.7313 2.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1519 2.3304 0.9926 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1784 -1.6209 2.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3434 2.6514 1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 -1.7710 -0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2396 -0.9030 -0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1213 -2.6670 -0.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 -0.9411 -1.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 0.3723 -2.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8127 1.3565 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1555 -1.2539 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2673 0.5002 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -0.3163 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2341 1.5438 -2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0432 -0.8429 1.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 2.9752 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1893 -2.2797 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6287 -2.0833 3.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 3.5248 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -1.8993 -0.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0469 -0.1856 -0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -3.6841 -1.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 11 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 23 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 14 1 0 0 0 0 9 17 2 0 0 0 0 10 16 1 0 0 0 0 10 27 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 16 2 0 0 0 0 14 29 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$