9ST Converted by convert_cif2sdf.py 2024/03/01 05:07:52 44 46 0 0 0 0 0 0 0 0999 V2000 4.9719 1.3478 -0.8621 C 0 0 0 0 0 6.2152 1.9286 -1.0242 C 0 0 0 0 0 6.9450 2.3225 0.0822 C 0 0 0 0 0 6.4304 2.1350 1.3512 C 0 0 0 0 0 5.1861 1.5549 1.5141 C 0 0 0 0 0 1.7820 -2.8741 -0.3327 C 0 0 0 0 0 1.7771 -1.4774 0.1227 N 0 0 0 0 0 0.7508 -0.6980 -0.5810 C 0 0 0 0 0 0.6745 0.7080 0.0183 C 0 0 0 0 0 2.0398 1.3891 -0.1154 C 0 0 0 0 0 3.0989 0.5331 0.5844 C 0 0 0 0 0 3.1038 -0.8671 -0.0310 C 0 0 0 0 0 4.4550 1.1656 0.4071 C 0 0 0 0 0 -0.3356 1.4910 -0.6974 N 0 0 0 0 0 -1.6677 1.4058 -0.3277 C 0 0 0 0 0 -2.0583 0.5675 0.7375 C 0 0 0 0 0 -3.3120 0.4853 1.0868 N 0 0 0 0 0 -4.2962 1.2220 0.4200 N 0 0 0 0 0 -5.6954 1.1084 0.8373 C 0 0 0 0 0 -3.9674 2.0363 -0.6022 C 0 0 0 0 0 -4.8307 2.6810 -1.1766 O 0 0 0 0 0 -2.6257 2.1467 -0.9958 C 0 0 0 0 0 -2.1354 3.2816 -2.4266 BR 0 0 0 0 0 4.4027 1.0397 -1.7265 H 0 0 0 0 0 6.6177 2.0747 -2.0158 H 0 0 0 0 0 7.9167 2.7754 -0.0453 H 0 0 0 0 0 7.0020 2.4383 2.2163 H 0 0 0 0 0 4.7844 1.4078 2.5063 H 0 0 0 0 0 2.0605 -2.9113 -1.3859 H 0 0 0 0 0 2.5036 -3.4440 0.2531 H 0 0 0 0 0 0.7880 -3.3019 -0.2026 H 0 0 0 0 0 1.0077 -0.6285 -1.6374 H 0 0 0 0 0 -0.2165 -1.1900 -0.4742 H 0 0 0 0 0 0.4029 0.6400 1.0719 H 0 0 0 0 0 2.2930 1.4923 -1.1700 H 0 0 0 0 0 2.0024 2.3745 0.3493 H 0 0 0 0 0 2.8654 0.4624 1.6473 H 0 0 0 0 0 3.8475 -1.4843 0.4745 H 0 0 0 0 0 3.3509 -0.7973 -1.0904 H 0 0 0 0 0 -1.3153 -0.0109 1.2664 H 0 0 0 0 0 -5.7709 0.4112 1.6718 H 0 0 0 0 0 -6.0627 2.0873 1.1468 H 0 0 0 0 0 -6.2948 0.7427 0.0025 H 0 0 0 0 0 -0.0719 2.0699 -1.4298 H 0 0 0 0 0 23 22 1 0 0 0 21 20 2 0 0 0 20 22 1 0 0 0 20 18 1 0 0 0 22 15 2 0 0 0 15 14 1 0 0 0 15 16 1 0 0 0 18 19 1 0 0 0 18 17 1 0 0 0 14 9 1 0 0 0 10 9 1 0 0 0 10 11 1 0 0 0 16 17 2 0 0 0 9 8 1 0 0 0 4 5 2 0 0 0 4 3 1 0 0 0 5 13 1 0 0 0 8 7 1 0 0 0 3 2 2 0 0 0 13 11 1 0 0 0 13 1 2 0 0 0 11 12 1 0 0 0 12 7 1 0 0 0 2 1 1 0 0 0 7 6 1 0 0 0 1 24 1 0 0 0 2 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 5 28 1 0 0 0 6 29 1 0 0 0 6 30 1 0 0 0 6 31 1 0 0 0 8 32 1 0 0 0 8 33 1 0 0 0 9 34 1 0 0 0 10 35 1 0 0 0 10 36 1 0 0 0 11 37 1 0 0 0 12 38 1 0 0 0 12 39 1 0 0 0 16 40 1 0 0 0 19 41 1 0 0 0 19 42 1 0 0 0 19 43 1 0 0 0 14 44 1 0 0 0 M END $$$$