BBTS84 -OEChem-04042106113D 34 37 0 1 0 0 0 0 0999 V2000 3.8987 2.7022 0.3076 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.5314 -0.4623 -2.3017 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5145 -0.2729 -1.4365 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0335 -2.6065 -0.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7854 2.4053 -0.5417 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2256 0.7750 1.0611 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 2.8052 1.6188 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0980 -1.5917 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -1.9229 1.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5223 -1.8731 0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6779 -0.1627 0.0708 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3774 -2.6579 -0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 0.1718 -1.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8541 -0.1578 0.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -1.3545 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 1.6492 -1.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5743 1.0471 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 1.9164 0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9886 -1.3375 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 1.0602 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -0.1324 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -1.1460 2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1296 -2.8971 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -2.8112 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -1.0529 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7068 -3.6591 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -2.5845 -1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2344 2.0313 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 1.8477 -2.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 1.9923 0.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 -2.2674 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7649 -0.1423 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2828 2.5999 2.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6304 3.6952 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 1 0 0 0 0 3 13 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 11 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 M END $$$$