IZE Converted by convert_cif2sdf.py 2024/03/29 11:09:15 52 55 0 0 0 0 0 0 0 0999 V2000 5.3776 0.1645 0.3653 C 0 0 0 0 0 5.8350 -0.1347 -1.0867 C 0 0 0 0 0 6.1901 -1.5873 -1.1874 C 0 0 0 0 0 6.4492 -2.2626 -0.0580 N 0 0 0 0 0 6.2384 -1.2106 1.2311 S 0 0 0 0 0 7.5683 -0.8661 1.5936 O 0 0 0 0 0 5.3686 -1.9245 2.0984 O 0 0 0 0 0 6.2433 -2.1392 -2.2664 O 0 0 0 0 0 3.8814 0.0554 0.5059 C 0 0 0 0 0 3.1535 1.1213 1.0011 C 0 0 0 0 0 1.7804 1.0207 1.1294 C 0 0 0 0 0 1.1360 -0.1458 0.7636 C 0 0 0 0 0 1.8638 -1.2137 0.2735 C 0 0 0 0 0 3.2360 -1.1121 0.1411 C 0 0 0 0 0 -0.3612 -0.2559 0.9032 C 0 0 0 0 0 -1.0298 0.2182 -0.3881 C 0 0 0 0 0 -0.7629 1.6453 -0.5820 N 0 0 0 0 0 -6.7840 -1.4070 0.1389 C 0 0 0 0 0 -5.4997 -1.8705 0.2009 C 0 0 0 0 0 -4.4336 -0.9954 -0.0217 C 0 0 0 0 0 -4.6950 0.3562 -0.3062 C 0 0 0 0 0 -6.0062 0.8081 -0.3645 C 0 0 0 0 0 -7.0431 -0.0734 -0.1423 C 0 0 0 0 0 -3.0847 -1.1486 -0.0355 N 0 0 0 0 0 -2.5179 -0.0064 -0.2946 C 0 0 0 0 0 -3.4628 0.9554 -0.4743 N 0 0 0 0 0 -7.9309 -2.3555 0.3795 C 0 0 0 0 0 -9.1402 -1.6623 0.2661 F 0 0 0 0 0 -7.8915 -3.3838 -0.5674 F 0 0 0 0 0 -7.8239 -2.8995 1.6637 F 0 0 0 0 0 -1.1692 2.5385 0.3416 C 0 0 0 0 0 -0.8932 4.0066 0.1423 C 0 0 0 0 0 -1.7558 2.1615 1.3339 O 0 0 0 0 0 -1.5055 4.4396 -1.0386 F 0 0 0 0 0 0.4871 4.2151 0.0554 F 0 0 0 0 0 -1.4062 4.7290 1.2250 F 0 0 0 0 0 5.7364 1.1365 0.7038 H 0 0 0 0 0 5.0249 0.0937 -1.7803 H 0 0 0 0 0 6.7060 0.4739 -1.3302 H 0 0 0 0 0 6.7120 -3.1945 0.0031 H 0 0 0 0 0 3.6574 2.0326 1.2867 H 0 0 0 0 0 1.2120 1.8541 1.5164 H 0 0 0 0 0 1.3600 -2.1259 -0.0121 H 0 0 0 0 0 3.8043 -1.9445 -0.2459 H 0 0 0 0 0 -0.6944 0.3663 1.7350 H 0 0 0 0 0 -0.6332 -1.2940 1.0941 H 0 0 0 0 0 -0.6306 -0.3447 -1.2319 H 0 0 0 0 0 -0.2927 1.9469 -1.3748 H 0 0 0 0 0 -5.3099 -2.9104 0.4216 H 0 0 0 0 0 -6.2129 1.8448 -0.5824 H 0 0 0 0 0 -8.0642 0.2768 -0.1877 H 0 0 0 0 0 -3.3015 1.8889 -0.6811 H 0 0 0 0 0 1 2 1 0 0 0 1 5 1 0 0 0 1 9 1 0 0 0 1 37 1 0 0 0 2 3 1 0 0 0 2 38 1 0 0 0 2 39 1 0 0 0 3 4 1 0 0 0 3 8 2 0 0 0 4 5 1 0 0 0 4 40 1 0 0 0 5 6 2 0 0 0 5 7 2 0 0 0 9 10 2 0 0 0 9 14 1 0 0 0 10 11 1 0 0 0 10 41 1 0 0 0 11 12 2 0 0 0 11 42 1 0 0 0 12 13 1 0 0 0 12 15 1 0 0 0 13 14 2 0 0 0 13 43 1 0 0 0 14 44 1 0 0 0 15 16 1 0 0 0 15 45 1 0 0 0 15 46 1 0 0 0 16 17 1 0 0 0 16 25 1 0 0 0 16 47 1 0 0 0 17 31 1 0 0 0 17 48 1 0 0 0 18 19 2 0 0 0 18 23 1 0 0 0 18 27 1 0 0 0 19 20 1 0 0 0 19 49 1 0 0 0 20 21 2 0 0 0 20 24 1 0 0 0 21 22 1 0 0 0 21 26 1 0 0 0 22 23 2 0 0 0 22 50 1 0 0 0 23 51 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 52 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 0 0 0 31 32 1 0 0 0 31 33 2 0 0 0 32 34 1 0 0 0 32 35 1 0 0 0 32 36 1 0 0 0 M END $$$$