LK1OR4 -OEChem-05032301393D 40 42 0 1 0 0 0 0 0999 V2000 2.8575 3.1822 -1.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6231 -2.5626 0.1892 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7196 2.9555 0.8521 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 -0.8854 0.3002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.2322 1.7524 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3352 0.7439 -0.9554 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4523 1.3835 1.1953 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 -1.8045 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5266 -1.0326 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 1.0542 -0.5828 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5820 0.2175 -0.6823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 0.5431 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 -2.4418 -1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 -2.9197 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2908 -1.3869 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6453 2.4808 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 -0.4483 0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -0.2393 -0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4096 0.6777 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 -0.7333 -1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9739 -0.1102 -1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3964 1.0941 1.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -1.6857 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6825 -0.7280 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7825 1.0257 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4713 0.7998 -0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7336 -0.0750 -1.7289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 0.6506 1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4394 1.1653 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -3.1175 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9953 -3.0287 -1.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9852 -1.6814 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 -3.6129 1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1818 -2.4958 2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 -3.5195 1.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0801 4.1199 -1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -1.4632 -2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1571 1.3319 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5834 -0.1987 -2.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3554 1.6238 2.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 36 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 17 1 0 0 0 0 5 22 2 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 38 1 0 0 0 0 7 19 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$