B21XIE -OEChem-04012119442D 49 51 0 0 0 0 0 0 0999 V2000 9.6869 1.5984 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 2.1031 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 2.4121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7122 1.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4521 1.1521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4550 4.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0701 3.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4495 4.0711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.1756 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 2.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5010 3.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0483 3.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7914 2.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6574 3.0930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5710 2.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8655 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6553 3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1366 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3188 2.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1374 2.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8232 3.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -1.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0431 -0.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -4.7126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -4.4856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -3.6387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 22 1 0 0 0 0 6 21 1 0 0 0 0 6 31 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 26 1 0 0 0 0 8 32 1 0 0 0 0 9 18 2 0 0 0 0 10 28 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 34 1 0 0 0 0 12 23 1 0 0 0 0 12 35 1 0 0 0 0 13 29 2 0 0 0 0 14 28 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 28 1 0 0 0 0 21 25 2 0 0 0 0 22 36 1 0 0 0 0 23 27 2 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 39 1 0 0 0 0 30 40 1 0 0 0 0 30 41 1 0 0 0 0 31 42 1 0 0 0 0 31 43 1 0 0 0 0 31 44 1 0 0 0 0 32 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$