D0H5KO -OEChem-04152110072D 53 56 0 0 0 0 0 0 0999 V2000 2.0000 0.5011 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5688 3.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 1.1841 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9134 -0.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9348 -0.9371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4348 -2.4669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0688 1.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9348 0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7395 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1678 1.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0688 0.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1923 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4288 -2.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9453 2.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 -1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5688 3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3859 -2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 -3.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -3.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4152 1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7223 1.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1828 3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 3.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4176 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3644 -1.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7200 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7430 -3.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9518 2.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1858 2.5915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6871 0.8930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 -0.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1468 0.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5318 0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9106 -0.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1274 4.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4308 4.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5407 -1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9041 -3.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5602 0.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5773 0.6738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 3.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8238 3.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4922 -2.4592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9710 -1.7247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2365 -1.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1729 1.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2816 -4.1676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 -4.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2045 -3.3395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5435 2.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5940 2.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 32 1 0 0 0 0 4 32 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 6 14 1 0 0 0 0 6 20 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 8 12 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 23 2 0 0 0 0 11 15 2 0 0 0 0 11 22 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 24 2 0 0 0 0 14 21 1 0 0 0 0 15 25 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 26 2 0 0 0 0 22 41 1 0 0 0 0 23 28 1 0 0 0 0 23 42 1 0 0 0 0 24 30 1 0 0 0 0 24 43 1 0 0 0 0 25 31 2 0 0 0 0 25 44 1 0 0 0 0 26 31 1 0 0 0 0 26 32 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$