L4JTS0 -OEChem-05032300252D 54 57 0 1 0 0 0 0 0999 V2000 11.0209 5.4610 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5939 2.3953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -4.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 -0.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6643 2.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -1.6980 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 2.3020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8454 3.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7849 3.7966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -3.2368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5823 -3.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 -2.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8913 -2.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0823 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9483 0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 -0.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 1.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 -0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 0.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 2.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8399 3.7384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2631 3.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2466 2.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2576 3.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7631 4.0045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4277 4.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2411 2.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6588 2.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4222 4.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8289 3.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9699 -3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5175 -3.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1888 -3.3657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9633 -1.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -2.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4577 -2.5379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2013 -1.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -5.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 -1.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 -0.5080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2173 1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2774 2.6120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5932 4.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0152 4.5709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 2.1539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1572 2.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2944 1.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1604 1.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7866 4.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4455 3.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 23 1 0 0 0 0 2 25 1 0 0 0 0 3 15 1 0 0 0 0 3 41 1 0 0 0 0 4 15 2 0 0 0 0 5 16 2 0 0 0 0 6 27 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 46 1 0 0 0 0 9 24 1 0 0 0 0 9 27 1 0 0 0 0 9 47 1 0 0 0 0 10 23 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 6 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 24 26 2 0 0 0 0 24 29 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 28 48 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END $$$$