J57 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 39 40 0 0 0 0 0 0 0 0999 V2000 -4.6228 -0.1040 -0.2223 C 0 0 0 0 0 -3.3992 -0.6663 -0.1196 C 0 0 0 0 0 -2.2291 0.1702 0.1832 C 0 0 0 0 0 -0.9607 -0.4091 0.2842 C 0 0 0 0 0 0.1395 0.3860 0.5713 C 0 0 0 0 0 1.4889 -0.2220 0.6794 C 0 0 0 0 0 2.5626 0.3303 -0.0159 C 0 0 0 0 0 3.8162 -0.2355 0.0925 C 0 0 0 0 0 -5.6185 -2.1103 -0.6678 O 0 0 0 0 0 -5.7526 -0.9115 -0.5093 C 0 0 0 0 0 -6.9753 -0.3509 -0.6071 O 0 0 0 0 0 -2.3814 1.5506 0.3668 C 0 0 0 0 0 -1.2867 2.3358 0.6503 C 0 0 0 0 0 -0.0259 1.7643 0.7581 C 0 0 0 0 0 1.0492 2.5441 1.0381 O 0 0 0 0 0 1.6871 -1.3450 1.4811 C 0 0 0 0 0 2.9450 -1.9060 1.5782 C 0 0 0 0 0 4.0082 -1.3502 0.8900 C 0 0 0 0 0 4.9787 0.3609 -0.6588 C 0 0 0 0 0 6.0580 0.7965 0.3346 C 0 0 0 0 0 5.5575 -0.6839 -1.6154 C 0 0 0 0 0 -4.7418 0.9606 -0.0821 H 0 0 0 0 0 -3.2801 -1.7308 -0.2607 H 0 0 0 0 0 -0.8376 -1.4730 0.1402 H 0 0 0 0 0 2.4136 1.2000 -0.6383 H 0 0 0 0 0 -7.6823 -0.9810 -0.8043 H 0 0 0 0 0 -3.3601 2.0000 0.2838 H 0 0 0 0 0 -1.4096 3.3993 0.7901 H 0 0 0 0 0 1.4892 2.9029 0.2558 H 0 0 0 0 0 0.8596 -1.7740 2.0254 H 0 0 0 0 0 3.1001 -2.7761 2.1987 H 0 0 0 0 0 4.9915 -1.7902 0.9725 H 0 0 0 0 0 4.6382 1.2246 -1.2277 H 0 0 0 0 0 6.3986 -0.0682 0.9034 H 0 0 0 0 0 6.8994 1.2280 -0.2088 H 0 0 0 0 0 5.6464 1.5407 1.0155 H 0 0 0 0 0 4.7883 -0.9948 -2.3226 H 0 0 0 0 0 6.3978 -0.2535 -2.1580 H 0 0 0 0 0 5.8979 -1.5486 -1.0456 H 0 0 0 0 0 20 19 1 0 0 0 21 19 1 0 0 0 19 8 1 0 0 0 8 18 2 0 0 0 8 7 1 0 0 0 18 17 1 0 0 0 7 6 2 0 0 0 17 16 2 0 0 0 6 16 1 0 0 0 6 5 1 0 0 0 9 10 2 0 0 0 4 5 2 0 0 0 4 3 1 0 0 0 5 14 1 0 0 0 10 11 1 0 0 0 10 1 1 0 0 0 2 3 1 0 0 0 2 1 2 0 0 0 3 12 2 0 0 0 14 15 1 0 0 0 14 13 2 0 0 0 12 13 1 0 0 0 1 22 1 0 0 0 2 23 1 0 0 0 4 24 1 0 0 0 7 25 1 0 0 0 11 26 1 0 0 0 12 27 1 0 0 0 13 28 1 0 0 0 15 29 1 0 0 0 16 30 1 0 0 0 17 31 1 0 0 0 18 32 1 0 0 0 19 33 1 0 0 0 20 34 1 0 0 0 20 35 1 0 0 0 20 36 1 0 0 0 21 37 1 0 0 0 21 38 1 0 0 0 21 39 1 0 0 0 M END $$$$