CB5733189.mol ChemDraw02020821092D 91 91 0 0 1 0 0 0 0 0999 V2000 9.7215 0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0162 0.6648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4267 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7215 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3212 0.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2024 0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4367 -0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5858 0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3110 -0.5845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1822 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8604 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6262 1.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9176 -0.8967 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1753 0.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3413 1.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9579 -1.7025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5323 -0.4130 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4400 0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3513 2.7402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7047 0.6648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4198 -0.5845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0767 3.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 0.6952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 -0.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1251 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 0.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 1.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -2.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8737 0.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 1.9041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 1.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 -3.1332 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1384 0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8836 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 0.7556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 -0.5339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 -0.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0478 0.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -0.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3826 -1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 0.2920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0983 1.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 -2.0852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 -2.1963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4334 2.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 0.6648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6141 0.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 -1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 -1.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6141 -0.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0649 0.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 1.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7801 0.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0950 1.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5356 0.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7599 1.4404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0547 2.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2508 0.6952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5657 -0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7801 3.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3597 3.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9762 0.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3013 -0.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7218 0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9762 -0.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3215 -1.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3362 0.2216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.7720 1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0466 -2.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6162 -2.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1019 0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5074 1.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9964 1.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8171 0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1019 1.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8171 -0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5323 0.4936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1118 -1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1118 -1.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4069 -2.3774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4069 -3.1834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 3 2 0 1 4 1 0 2 5 1 0 3 6 1 0 4 7 2 0 5 8 1 0 5 9 2 0 6 10 2 0 8 11 1 1 8 12 1 0 10 13 1 0 11 14 1 0 12 15 1 0 13 16 2 0 13 17 1 0 14 18 1 0 14 19 2 0 15 20 1 0 18 21 1 6 18 22 1 0 20 23 1 0 21 24 1 0 22 25 1 0 24 26 1 0 24 27 2 0 25 28 1 0 26 29 1 1 26 30 1 0 28 31 1 0 29 32 1 0 30 33 1 0 30 34 1 0 31 35 1 0 32 36 1 0 32 37 2 0 36 38 1 6 36 39 1 0 38 40 1 0 39 41 1 0 40 42 1 0 40 43 2 0 41 44 1 0 42 45 1 1 42 46 1 0 44 47 1 0 44 48 2 0 45 49 1 0 46 50 1 0 49 51 1 0 49 52 2 0 51 53 1 6 51 54 1 0 53 55 1 0 54 56 1 0 54 57 1 1 55 58 1 0 55 59 2 0 56 60 1 0 58 61 1 1 58 62 1 0 61 63 1 0 62 64 1 0 63 65 1 0 63 66 2 0 64 67 1 0 65 68 1 6 65 69 1 0 67 70 1 0 67 71 2 0 68 72 1 0 69 73 1 0 72 74 1 0 72 75 2 0 73 76 1 0 74 77 1 1 74 78 1 0 76 79 1 0 76 80 2 0 77 81 1 0 78 82 1 0 78 83 1 1 81 84 1 0 81 85 2 0 84 86 1 0 84 87 1 6 86 88 1 0 88 89 1 0 89 90 1 0 90 91 1 0 7 10 1 0 M CHG 2 13 1 17 -1 V 1 0 V 2 1 V 3 2 V 4 3 V 5 4 V 6 5 V 7 6 V 8 7 V 9 8 V 10 9 V 11 10 V 12 11 V 13 12 V 14 13 V 15 14 V 16 15 V 17 16 V 18 17 V 19 18 V 20 19 V 21 20 V 22 21 V 23 22 V 24 23 V 25 24 V 26 25 V 27 26 V 28 27 V 29 28 V 30 29 V 31 30 V 32 31 V 33 32 V 34 33 V 35 34 V 36 35 V 37 36 V 38 37 V 39 38 V 40 39 V 41 40 V 42 41 V 43 42 V 44 43 V 45 44 V 46 45 V 47 46 V 48 47 V 49 48 V 50 49 V 51 50 V 52 51 V 53 52 V 54 53 V 55 54 V 56 55 V 57 56 V 58 57 V 59 58 V 60 59 V 61 60 V 62 61 V 63 62 V 64 63 V 65 64 V 66 65 V 67 66 V 68 67 V 69 68 V 70 69 V 71 70 V 72 71 V 73 72 V 74 73 V 75 74 V 76 75 V 77 76 V 78 77 V 79 78 V 80 79 V 81 80 V 82 81 V 83 82 V 84 83 V 85 84 V 86 85 V 87 86 V 88 87 V 89 88 V 90 89 V 91 90 M END