BD5KI2 -OEChem-04022101342D 61 62 0 1 0 0 0 0 0999 V2000 6.4485 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 10.2627 5.4682 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0 4.1986 7.0679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5336 3.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6305 3.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 4.8093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9326 6.9682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1646 3.1022 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 6.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 5.5164 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7845 5.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 5.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 5.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 6.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5306 5.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 6.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 4.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7986 6.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3967 4.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 3.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7986 5.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 3.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5306 6.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 6.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1287 4.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2627 6.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1287 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 5.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 3.4682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 4.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8608 3.9682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5899 4.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 4.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0465 4.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5852 6.3203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8153 6.5266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 5.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3735 5.1439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0303 5.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9122 6.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1423 6.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 7.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9981 4.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7952 4.4932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2617 5.1582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6277 2.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3251 2.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0676 6.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 7.5882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 2.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8827 6.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2627 7.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6427 6.4682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 5.5553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5918 3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 6.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9947 2.8482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 5.2782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3977 3.6582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 14 2 0 0 0 0 4 20 2 0 0 0 0 5 25 2 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 6 40 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 7 43 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 51 1 0 0 0 0 9 16 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 16 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 18 21 2 0 0 0 0 18 24 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 57 1 0 0 0 0 29 31 2 0 0 0 0 29 58 1 0 0 0 0 30 32 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$