LE36IB -OEChem-05032300492D 54 54 0 0 0 0 0 0 0999 V2000 6.4716 -0.7908 0.0000 Ru 0 2 0 0 0 0 0 0 0 0 0 0 7.2806 -1.3785 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 7.7995 -1.4836 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.6626 -1.3785 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.7178 -2.2430 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3196 -0.4718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 2.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 -0.2030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4771 -0.6862 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.5896 1.3212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6626 -0.2030 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 6.9716 -2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4072 -2.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5511 -2.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9803 -2.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 -2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9112 -2.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9716 0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 0.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6472 -0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 -0.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6480 -1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 1.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 0.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4268 1.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5328 -1.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 -1.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3159 -1.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1304 -0.1722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9068 -2.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -3.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0157 -3.0481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 -3.2320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 -2.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6002 -2.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 -3.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 -2.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0364 -2.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -2.9142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -3.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -1.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4808 -1.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 -0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 2.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4582 2.1202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6049 0.2022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0902 1.7865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 2 31 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 3 32 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 33 1 0 0 0 0 5 22 2 0 0 0 0 6 29 2 0 0 0 0 7 30 2 0 0 0 0 8 19 1 0 0 0 0 8 21 2 0 0 0 0 9 22 1 0 0 0 0 9 34 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 54 1 0 0 0 0 11 18 1 0 0 0 0 11 20 2 0 0 0 0 12 16 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 24 2 0 0 0 0 20 25 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 50 1 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 28 2 0 0 0 0 26 52 1 0 0 0 0 27 30 1 0 0 0 0 28 53 1 0 0 0 0 M CHG 6 1 2 2 1 3 1 4 1 9 -1 11 -1 M END $$$$