LKRU21 -OEChem-05032301463D 31 33 0 0 0 0 0 0 0999 V2000 -2.8805 1.7940 2.1217 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.0835 -1.8534 -1.7936 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 1.0354 -0.6112 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 1.9102 -1.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 0.5982 -0.4723 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 1.2811 -0.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2467 -0.5300 0.3057 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 -1.3722 0.7596 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 -0.5042 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 0.5493 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 -0.3015 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -0.1506 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3490 0.9409 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 -1.1160 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -0.0613 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7428 0.7720 1.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8010 -0.9626 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7076 -2.1314 1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1899 -0.8517 -0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1317 0.8828 0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8553 0.0710 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9606 2.1350 -1.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -0.3562 1.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -1.2557 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3412 0.0969 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2856 -1.6817 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -2.1765 2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -1.8975 0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 -3.1239 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 1.5970 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9372 0.1682 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 19 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 25 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END $$$$