BUT9F2 -OEChem-04022108553D 40 42 0 1 0 0 0 0 0999 V2000 -7.7190 0.3838 0.3490 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 2.2939 -1.6202 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 -0.7481 -0.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 0.8533 0.2786 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 0.5996 0.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2097 1.2681 0.9863 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1126 0.6603 1.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1764 2.3220 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 1.8289 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1297 0.2445 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 0.1703 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 0.4490 -0.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6136 -0.7814 1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 -0.2186 -1.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8332 -1.4488 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6071 -0.1115 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6863 -1.1674 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8643 0.4024 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4471 -1.3070 -0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 -1.8808 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 -0.2991 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5767 -2.0086 -0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -1.5047 -0.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 1.7210 1.8541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 1.2085 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.3964 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 3.2908 0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5568 2.4368 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 1.4719 1.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 1.1706 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -1.0280 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9759 0.0073 -1.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1086 -2.1854 1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9704 1.3426 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4978 -1.7612 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 -2.1494 0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8657 -2.7949 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7426 -1.2499 -0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -2.9476 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7198 -2.0637 -1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 9 2 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 13 15 2 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$