12GIU_FBR_A_600 2 RDKit 3D 3 4 39 41 0 0 0 0 0 0 0 0999 V2000 5 22.9210 9.0370 115.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 6 22.4450 8.0850 116.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 7 20.9070 8.1950 116.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 8 20.3470 7.7940 115.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 9 19.2410 7.3180 115.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 10 21.1430 8.0220 113.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 11 20.4090 7.1960 112.5220 Br 0 0 0 0 0 0 0 0 0 0 0 0 12 22.3490 8.6250 113.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 13 23.4070 8.7370 112.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 14 23.3580 8.6780 111.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 15 24.5470 8.8530 110.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 16 25.7740 9.0260 111.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 17 26.9270 9.1090 110.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 18 25.8120 9.0600 112.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 19 24.6150 8.9510 113.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 20 24.4460 9.0220 115.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 21 22.4130 10.4820 115.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 22 23.1370 11.2900 116.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 23 22.2290 12.2960 117.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 24 23.0160 12.8190 118.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 25 22.7432 7.0516 116.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 26 22.8939 8.3552 117.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 27 20.5141 7.5245 117.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 28 20.6121 9.2278 116.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 29 22.4068 8.4982 111.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 30 24.5222 8.8554 109.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 31 27.7880 9.1710 111.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 32 26.7692 9.1708 113.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 33 24.9024 9.9383 115.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 34 24.9342 8.1861 115.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 35 22.5311 11.0119 114.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 36 21.3664 10.3986 115.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 37 23.5392 10.5902 117.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 38 23.9308 11.8652 116.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 39 21.9806 13.1282 116.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 40 21.2856 11.8238 117.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 41 22.5198 12.4893 119.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 42 24.0416 12.4221 118.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 43 23.0473 13.9182 118.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 44 1 2 1 0 45 1 8 1 0 46 1 16 1 0 47 1 17 1 0 48 2 3 1 0 49 3 4 1 0 50 4 5 2 0 51 4 6 1 0 52 6 7 1 0 53 6 8 2 0 54 8 9 1 0 55 9 10 2 0 56 9 15 1 0 57 10 11 1 0 58 11 12 2 0 59 12 13 1 0 60 12 14 1 0 61 14 15 2 0 62 15 16 1 0 63 17 18 1 0 64 18 19 1 0 65 19 20 1 0 66 2 21 1 0 67 2 22 1 0 68 3 23 1 0 69 3 24 1 0 70 10 25 1 0 71 11 26 1 0 72 13 27 1 0 73 14 28 1 0 74 16 29 1 0 75 16 30 1 0 76 17 31 1 0 77 17 32 1 0 78 18 33 1 0 79 18 34 1 0 80 19 35 1 0 81 19 36 1 0 82 20 37 1 0 83 20 38 1 0 84 20 39 1 0 85A 1 86C1 87A 2 88C2 89A 3 90C3 91A 4 92C4 93A 5 94O5 95A 6 96C6 97A 7 98BR7 99A 8 100C8 101A 9 102C9 103A 10 104C10 105A 11 106C11 107A 12 108C12 109A 13 110O13 111A 14 112C14 113A 15 114C15 115A 16 116C16 117A 17 118C17 119A 18 120C18 121A 19 122C19 123A 20 124C20 125M END 126