BNIV50 -OEChem-04022106263D 34 35 0 0 0 0 0 0 0999 V2000 -2.9980 1.2549 0.0254 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 0.7479 -0.5576 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6570 -2.1858 0.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3688 2.3929 0.2407 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 0.0642 0.2462 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6263 0.3380 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 -0.0865 0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 0.3610 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0236 0.2621 -0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0651 -0.1500 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -0.7228 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2589 0.0421 -1.5739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -0.0053 0.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0394 -0.4521 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 -0.4995 0.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 -1.2379 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9928 -0.4671 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3695 -0.9988 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7470 1.3429 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8646 1.3302 -0.5719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6332 -0.3439 -1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4289 -1.0715 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6949 0.6199 1.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 -0.6447 0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 1.0825 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0925 -0.8747 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3624 0.8269 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8049 -0.4543 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 0.2514 -2.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 0.1813 1.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6293 -0.6219 -2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -0.7005 1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0024 -2.3211 -0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2476 -0.0965 0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$