BRN4J1 -OEChem-04042106123D 62 64 0 1 0 0 0 0 0999 V2000 -4.9724 -0.1022 -2.3458 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6814 2.2779 1.0682 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 2.2759 2.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 1.2457 -0.5207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7261 0.1652 1.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 -0.8749 -1.3011 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5199 -0.8450 0.3612 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 0.9576 0.0187 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6773 0.2149 -0.8031 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2377 0.4989 -2.2986 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 -1.0728 -0.4029 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8760 -2.0106 1.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 -2.5105 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 -3.0447 0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 0.2826 0.9071 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3051 0.2844 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5048 0.9386 2.2790 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7552 -0.1597 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0538 -3.2846 -0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2168 -4.3598 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1549 -4.6143 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2441 -5.1473 0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 0.9646 3.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1857 0.3180 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 1.2628 -1.8067 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7971 1.0653 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 2.7287 3.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3357 1.8859 -2.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9317 0.8792 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7662 2.0894 0.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2214 0.3045 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0358 1.7173 -1.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8702 2.9276 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0051 2.7413 -0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -0.8764 -1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7849 -1.7421 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 -2.3616 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0218 -0.7265 1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7881 0.3530 2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7604 -2.8769 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4863 -4.7736 1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 1.9621 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 -5.2440 -0.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 -6.1841 0.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7191 1.2816 4.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 -0.0274 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 1.6720 2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6813 -0.3281 -1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4318 2.0803 -1.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 3.7289 3.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 2.8057 4.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 2.0783 3.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 1.1211 -3.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9715 2.5769 -3.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4663 2.4473 -2.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6836 1.0043 -3.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8112 -0.2576 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6183 1.2582 -0.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0626 -0.2746 -1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9191 1.5721 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 3.7248 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8647 3.3937 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 16 2 0 0 0 0 5 18 2 0 0 0 0 6 24 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 42 1 0 0 0 0 9 18 1 0 0 0 0 9 26 1 0 0 0 0 9 48 1 0 0 0 0 10 25 1 0 0 0 0 10 31 1 0 0 0 0 10 56 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 17 23 1 0 0 0 0 17 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 22 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 M END $$$$