BNTQ40 -OEChem-04022104063D 64 66 0 1 0 0 0 0 0999 V2000 -7.3643 2.6691 -2.4267 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.9008 0.5574 -1.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 -2.1774 -0.0093 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8077 1.4944 -1.1461 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5289 -0.0905 0.3881 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0743 -0.7691 0.6644 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 0.1577 0.7303 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4441 -3.4584 -1.2143 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -1.7083 -0.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6506 -0.5576 2.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 0.3773 3.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3416 -0.1525 1.2010 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0498 1.7932 3.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9424 -0.1071 4.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 -1.1732 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1787 1.3486 -2.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6634 0.7272 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0755 -1.4451 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 1.0179 -2.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1695 0.9864 -3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0651 2.8246 -2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 -0.8963 0.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4779 -1.5726 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -2.6632 -0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 -2.8033 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -3.3296 -0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 -1.0788 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 1.1573 0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -2.8754 -0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5597 1.3768 -0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2973 1.9314 1.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5308 2.3702 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2681 2.9248 1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8851 3.1442 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7107 -0.6225 3.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0718 -1.5725 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5789 0.4146 2.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 0.8319 1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9919 2.2465 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 2.4469 4.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0476 1.7979 3.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 0.5574 5.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 -1.1118 4.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0365 -0.1449 5.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2973 -0.7188 0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 0.1059 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8867 1.5871 -3.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3205 1.2325 -2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6959 -0.0503 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 1.3611 -4.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1709 1.4053 -3.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -0.1007 -3.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5401 3.4525 -2.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5637 3.0242 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0405 3.1947 -1.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.0608 0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -3.1603 -0.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9596 -4.2821 -1.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4214 0.2365 1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5085 -3.4080 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2792 0.7879 -1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8254 1.7707 2.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5439 3.5275 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6395 3.9224 0.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 15 2 0 0 0 0 4 17 2 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 45 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 46 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 7 59 1 0 0 0 0 8 25 1 0 0 0 0 8 29 2 0 0 0 0 9 27 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 12 15 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 26 58 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 60 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 33 2 0 0 0 0 31 62 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M END $$$$