08Q Converted by convert_cif2sdf.py 2024/03/29 11:09:15 44 45 0 0 0 0 0 0 0 0999 V2000 -3.2427 1.1671 1.7899 P 0 0 0 0 0 -3.0669 0.7865 3.2096 O 0 0 0 0 0 -5.3545 -0.3532 -0.9764 C 0 0 0 0 0 -4.8939 0.8808 -0.1992 C 0 0 0 0 0 -1.5814 -0.7687 0.9934 C 0 0 0 0 0 -2.0128 0.5926 0.9241 O 0 0 0 0 0 -0.3964 -0.9766 0.0479 C 0 0 0 0 0 0.7348 -0.2313 0.5153 O 0 0 0 0 0 0.0026 -2.4676 0.0282 C 0 0 0 0 0 -0.5092 -3.1160 -1.1367 O 0 0 0 0 0 1.5536 -2.3936 -0.0171 C 0 0 0 0 0 1.8129 -1.1258 0.8354 C 0 0 0 0 0 3.0975 -0.5228 0.4723 N 0 0 0 0 0 4.2349 -1.2157 0.6602 C 0 0 0 0 0 4.1845 -2.3359 1.1296 O 0 0 0 0 0 5.4289 -0.6862 0.3353 N 0 0 0 0 0 5.5031 0.5552 -0.1868 C 0 0 0 0 0 -4.6854 0.5232 1.2109 N 0 0 0 0 0 6.5832 1.0350 -0.4810 O 0 0 0 0 0 4.3139 1.2956 -0.3886 C 0 0 0 0 0 4.3686 2.6851 -0.9700 C 0 0 0 0 0 3.1289 0.7375 -0.0585 C 0 0 0 0 0 -5.6110 0.0891 -2.7165 S 0 0 0 0 0 -3.2824 2.7719 1.6655 O 0 0 0 0 0 -4.5939 -1.1307 -0.9075 H 0 0 0 0 0 -6.2887 -0.7212 -0.5528 H 0 0 0 0 0 -3.9587 1.2483 -0.6219 H 0 0 0 0 0 -5.6544 1.6584 -0.2681 H 0 0 0 0 0 -1.2772 -1.0025 2.0131 H 0 0 0 0 0 -2.4004 -1.4245 0.6983 H 0 0 0 0 0 -0.6637 -0.6508 -0.9576 H 0 0 0 0 0 -0.3349 -2.9713 0.9347 H 0 0 0 0 0 -0.2858 -4.0553 -1.1945 H 0 0 0 0 0 2.0033 -3.2742 0.4417 H 0 0 0 0 0 1.9103 -2.2594 -1.0383 H 0 0 0 0 0 1.7959 -1.3733 1.8965 H 0 0 0 0 0 6.2400 -1.1995 0.4763 H 0 0 0 0 0 -5.4665 0.8182 1.7772 H 0 0 0 0 0 5.4053 2.9531 -1.1726 H 0 0 0 0 0 3.7969 2.7132 -1.8980 H 0 0 0 0 0 3.9424 3.3925 -0.2587 H 0 0 0 0 0 2.2100 1.2856 -0.2096 H 0 0 0 0 0 -6.0067 -1.0718 -3.2685 H 0 0 0 0 0 -3.3960 3.0933 0.7605 H 0 0 0 0 0 3 4 1 0 0 0 3 23 1 0 0 0 4 18 1 0 0 0 18 1 1 0 0 0 6 5 1 0 0 0 6 1 1 0 0 0 5 7 1 0 0 0 10 9 1 0 0 0 1 2 2 0 0 0 9 7 1 0 0 0 9 11 1 0 0 0 7 8 1 0 0 0 8 12 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 22 1 0 0 0 13 14 1 0 0 0 22 20 2 0 0 0 15 14 2 0 0 0 14 16 1 0 0 0 20 21 1 0 0 0 20 17 1 0 0 0 16 17 1 0 0 0 17 19 2 0 0 0 1 24 1 0 0 0 3 25 1 0 0 0 3 26 1 0 0 0 4 27 1 0 0 0 4 28 1 0 0 0 5 29 1 0 0 0 5 30 1 0 0 0 7 31 1 0 0 0 9 32 1 0 0 0 10 33 1 0 0 0 11 34 1 0 0 0 11 35 1 0 0 0 12 36 1 0 0 0 16 37 1 0 0 0 18 38 1 0 0 0 21 39 1 0 0 0 21 40 1 0 0 0 21 41 1 0 0 0 22 42 1 0 0 0 23 43 1 0 0 0 24 44 1 0 0 0 M END $$$$