BUT2R4 -OEChem-04022109352D 36 39 0 0 0 0 0 0 0999 V2000 7.0570 4.5596 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8678 -0.3069 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1269 0.3648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0754 -4.5596 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4291 -4.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 0.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 0.4301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4076 -3.8153 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3396 -0.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3611 -1.1700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0504 -2.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0074 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -2.8648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6968 -2.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 1.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 3.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4426 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0686 3.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9747 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8456 0.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -2.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0614 0.8704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 4.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9057 3.3350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5104 1.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5104 3.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 12 2 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 17 2 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 17 22 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 25 2 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 25 26 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$