13G0G_RUM_A_800 2 RDKit 3D 3 4 42 44 0 0 0 0 0 0 0 0999 V2000 5 40.8130 0.4950 16.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 6 40.4010 1.2910 15.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 7 39.9170 2.1800 14.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 8 38.5340 2.3950 14.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 9 37.9740 3.3670 14.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 10 38.7730 4.1230 13.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 11 40.1580 3.9300 13.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 12 40.7780 2.9860 13.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 13 42.2850 2.8530 13.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 14 42.7440 1.4640 13.7100 N 0 0 0 0 0 0 0 0 0 0 0 0 15 43.6600 0.8340 14.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 16 44.0640 -0.4440 14.4070 N 0 0 0 0 0 0 0 0 0 0 0 0 17 43.6390 -1.1970 13.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 18 42.7360 -0.6770 12.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 19 42.0940 -1.6440 10.9430 Br 0 0 0 0 0 0 0 0 0 0 0 0 20 42.2650 0.7120 12.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 21 41.4640 1.1520 11.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 22 44.2560 1.5000 15.7160 N 0 0 0 0 0 0 0 0 0 0 0 0 23 44.2280 0.9590 17.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 24 44.4610 2.0740 18.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 25 43.2740 2.8910 18.2360 N 0 0 0 0 0 0 0 0 0 0 0 0 26 45.6340 2.9730 17.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 27 45.2490 3.6920 16.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 28 45.0000 2.7070 15.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 29 37.8810 1.7984 15.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 30 36.8870 3.5350 14.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 31 38.3107 4.8761 12.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 32 40.7708 4.5317 12.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 33 42.6487 3.4438 13.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 34 42.6858 3.2151 14.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 35 44.0065 -2.2276 13.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 36 43.2476 0.4954 17.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 37 45.0307 0.2135 17.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 38 44.6925 1.5890 19.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 39 43.0546 3.0420 19.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 40 43.4376 3.7993 17.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 41 45.8276 3.7055 18.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 42 46.5473 2.3778 17.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 43 44.3322 4.2735 16.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 44 46.0803 4.3515 16.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 45 45.9733 2.3937 14.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 46 44.3796 3.2293 14.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 47 1 2 3 0 48 2 3 1 0 49 3 8 2 0 50 4 3 1 0 51 4 5 2 0 52 5 6 1 0 53 6 7 2 0 54 8 7 1 0 55 8 9 1 0 56 10 9 1 0 57 10 16 1 0 58 11 10 1 0 59 12 11 2 0 60 12 13 1 0 61 13 14 2 0 62 14 16 1 0 63 14 15 1 0 64 16 17 2 0 65 18 11 1 0 66 18 24 1 0 67 19 18 1 0 68 20 19 1 0 69 20 22 1 0 70 21 20 1 0 71 22 23 1 0 72 23 24 1 0 73 4 25 1 0 74 5 26 1 0 75 6 27 1 0 76 7 28 1 0 77 9 29 1 0 78 9 30 1 0 79 13 31 1 0 80 19 32 1 0 81 19 33 1 0 82 20 34 1 0 83 21 35 1 0 84 21 36 1 0 85 22 37 1 0 86 22 38 1 0 87 23 39 1 0 88 23 40 1 0 89 24 41 1 0 90 24 42 1 0 91A 1 92N17 93A 2 94C16 95A 3 96C15 97A 4 98C14 99A 5 100C13 101A 6 102C12 103A 7 104C11 105A 8 106C10 107A 9 108C9 109A 10 110N2 111A 11 112C3 113A 12 114N4 115A 13 116C5 117A 14 118C6 119A 15 120BR7 121A 16 122C1 123A 17 124O8 125A 18 126N18 127A 19 128C23 129A 20 130C22 131A 21 132N24 133A 22 134C21 135A 23 136C20 137A 24 138C19 139M END 140