BVQ4D9 -OEChem-04022112523D 55 57 0 1 0 0 0 0 0999 V2000 -2.2971 2.9030 0.2497 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1219 -2.7221 -0.0790 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4339 1.1144 1.2174 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 3.6197 -0.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 3.4797 1.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 -2.9462 1.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -2.8079 -1.3647 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6556 2.4727 0.2801 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2944 -0.7530 0.1639 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4157 -1.2620 1.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9474 0.7992 0.0683 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5314 0.4037 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 1.7116 -0.8521 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3738 1.7447 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1006 2.4941 -1.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 -0.3925 0.2300 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2659 0.0676 0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6930 -0.4453 0.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -2.0034 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4343 -1.7301 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 -2.3329 -1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0866 1.3241 0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 0.7535 -1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 0.6502 1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9876 -0.4910 -1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 -0.5943 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -1.1650 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 -3.8924 -0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 1.3710 1.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5593 -0.3277 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 -0.0303 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8176 1.5289 -1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7529 1.1848 -1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1593 2.4403 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 3.5307 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 2.5286 -2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 -0.9527 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1233 2.5082 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 -0.1241 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9836 0.3735 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5009 -1.9014 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 -2.7665 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0226 -2.0771 1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4887 -1.6255 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 -2.3996 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4697 -1.5530 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8055 -1.8333 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7444 -3.4063 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 1.2618 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 1.0719 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1877 -0.9186 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3197 -1.1055 2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 -4.8957 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 -3.7028 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -3.7863 0.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 22 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 8 13 1 0 0 0 0 8 38 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 16 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 M END $$$$