J1V Converted by convert_cif2sdf.py 2024/03/29 11:09:15 50 52 0 0 0 0 0 0 0 0999 V2000 -3.8308 -0.0188 -0.3322 C 0 0 0 0 0 -4.8895 -1.0359 0.0969 C 0 0 0 0 0 -4.4896 -2.4274 -0.3991 C 0 0 0 0 0 -3.1371 -2.8139 0.2025 C 0 0 0 0 0 -2.0782 -1.7959 -0.2255 C 0 0 0 0 0 -2.4783 -0.4054 0.2704 C 0 0 0 0 0 -1.4352 0.5978 -0.1514 C 0 0 0 0 0 -1.7434 1.5297 -0.8635 O 0 0 0 0 0 -0.1600 0.4583 0.2614 N 0 0 0 0 0 0.8538 1.4336 -0.1480 C 0 0 0 0 0 0.8289 2.6102 0.7921 C 0 0 0 0 0 0.0418 2.6323 1.7151 O 0 0 0 0 0 1.6804 3.6377 0.6088 N 0 0 0 0 0 1.6577 4.7437 1.4929 O 0 0 0 0 0 2.2149 0.7886 -0.1104 C 0 0 0 0 0 3.1339 1.0593 -1.1074 C 0 0 0 0 0 4.3823 0.4717 -1.0778 C 0 0 0 0 0 2.5426 -0.0679 0.9253 C 0 0 0 0 0 3.7889 -0.6619 0.9646 C 0 0 0 0 0 4.7161 -0.3962 -0.0407 C 0 0 0 0 0 6.0565 -1.0323 -0.0037 C 0 0 0 0 0 6.9873 -0.7585 -1.0035 C 0 0 0 0 0 8.2347 -1.3515 -0.9662 C 0 0 0 0 0 9.1378 -1.0866 -1.9345 F 0 0 0 0 0 8.5603 -2.2197 0.0659 C 0 0 0 0 0 9.7811 -2.7976 0.1001 F 0 0 0 0 0 7.6365 -2.4946 1.0627 C 0 0 0 0 0 7.9578 -3.3401 2.0660 F 0 0 0 0 0 6.3892 -1.9011 1.0344 C 0 0 0 0 0 -3.7545 -0.0081 -1.4192 H 0 0 0 0 0 -4.1157 0.9722 0.0216 H 0 0 0 0 0 -4.9646 -1.0457 1.1839 H 0 0 0 0 0 -5.8531 -0.7611 -0.3324 H 0 0 0 0 0 -5.2433 -3.1525 -0.0939 H 0 0 0 0 0 -4.4135 -2.4177 -1.4861 H 0 0 0 0 0 -3.2122 -2.8238 1.2896 H 0 0 0 0 0 -2.8522 -3.8050 -0.1512 H 0 0 0 0 0 -1.1148 -2.0716 0.2027 H 0 0 0 0 0 -2.0031 -1.7860 -1.3135 H 0 0 0 0 0 -2.5534 -0.4153 1.3574 H 0 0 0 0 0 0.0858 -0.2866 0.8315 H 0 0 0 0 0 0.6412 1.7738 -1.1619 H 0 0 0 0 0 2.3106 3.6203 -0.1288 H 0 0 0 0 0 2.3047 5.4299 1.2817 H 0 0 0 0 0 2.8742 1.7333 -1.9118 H 0 0 0 0 0 5.0988 0.6833 -1.8579 H 0 0 0 0 0 1.8231 -0.2738 1.7037 H 0 0 0 0 0 4.0436 -1.3301 1.7743 H 0 0 0 0 0 6.7340 -0.0827 -1.8078 H 0 0 0 0 0 5.6708 -2.1124 1.8135 H 0 0 0 0 0 3 2 1 0 0 0 3 4 1 0 0 0 2 1 1 0 0 0 4 5 1 0 0 0 14 13 1 0 0 0 1 6 1 0 0 0 13 11 1 0 0 0 12 11 2 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 11 10 1 0 0 0 7 9 1 0 0 0 7 8 2 0 0 0 9 10 1 0 0 0 10 15 1 0 0 0 15 16 2 0 0 0 15 18 1 0 0 0 16 17 1 0 0 0 18 19 2 0 0 0 17 20 2 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 29 2 0 0 0 21 22 1 0 0 0 29 27 1 0 0 0 22 23 2 0 0 0 27 28 1 0 0 0 27 25 2 0 0 0 23 25 1 0 0 0 23 24 1 0 0 0 25 26 1 0 0 0 1 30 1 0 0 0 1 31 1 0 0 0 2 32 1 0 0 0 2 33 1 0 0 0 3 34 1 0 0 0 3 35 1 0 0 0 4 36 1 0 0 0 4 37 1 0 0 0 5 38 1 0 0 0 5 39 1 0 0 0 6 40 1 0 0 0 9 41 1 0 0 0 10 42 1 0 0 0 13 43 1 0 0 0 14 44 1 0 0 0 16 45 1 0 0 0 17 46 1 0 0 0 18 47 1 0 0 0 19 48 1 0 0 0 22 49 1 0 0 0 29 50 1 0 0 0 M END $$$$