BNU6E3 -OEChem-04022107053D 42 44 0 1 0 0 0 0 0999 V2000 1.6474 1.2000 1.3198 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4144 -0.4425 -1.4717 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1576 -2.0833 -1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 1.2988 -0.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 -1.2590 1.1642 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 -1.0407 0.5416 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1372 -1.5975 -1.5675 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5805 2.2868 -1.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8961 1.8792 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3126 3.6158 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3582 3.2285 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 -0.9017 0.7669 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9191 -0.0047 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8705 -2.1259 0.4100 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7313 -3.1025 1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4877 -1.7119 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 -0.9956 -0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6786 -0.3401 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 0.7489 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8318 -0.7962 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9687 1.3816 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0533 -0.1633 -0.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1218 0.9255 0.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5589 2.2437 -1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8060 2.0531 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 1.2541 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 1.9905 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2421 4.0132 -0.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8956 4.3658 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 3.1128 0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 3.9638 1.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2904 -0.3967 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 -2.6776 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3186 -2.6027 2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0562 -3.9269 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 -3.5445 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6127 -0.4189 1.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 -1.8457 1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8107 -1.6472 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0217 2.2294 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9517 -0.5193 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0729 1.4179 0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$