JJV Converted by convert_cif2sdf.py 2024/03/29 11:09:15 47 49 0 0 0 0 0 0 0 0999 V2000 -3.4811 2.7673 0.6590 C 0 0 0 0 0 -3.9272 1.6405 -0.6909 S 0 0 0 0 0 -5.3246 1.6952 -0.9453 O 0 0 0 0 0 -2.9854 1.7360 -1.7516 O 0 0 0 0 0 -3.6690 0.0311 -0.0239 C 0 0 0 0 0 -4.7436 -0.8100 0.1819 C 0 0 0 0 0 -4.5369 -2.0852 0.7102 C 0 0 0 0 0 -5.6472 -2.9629 0.9267 C 0 0 0 0 0 -6.5280 -3.6592 1.0979 N 0 0 0 0 0 -3.2417 -2.5011 1.0276 C 0 0 0 0 0 -2.1766 -1.6508 0.8165 C 0 0 0 0 0 -2.3881 -0.3901 0.2876 C 0 0 0 0 0 -1.2181 0.5310 0.0537 C 0 0 0 0 0 -0.4808 0.0458 -1.1778 C 0 0 0 0 0 0.8212 -0.2758 -1.0434 C 0 0 0 0 0 1.5919 -0.7626 -2.2444 C 0 0 0 0 0 -1.1451 -0.0673 -2.4415 C 0 0 0 0 0 -1.6718 -0.1567 -3.4441 N 0 0 0 0 0 -0.4476 0.6126 1.3061 N 0 0 0 0 0 0.8516 0.2557 1.2843 C 0 0 0 0 0 1.4955 0.3198 2.3138 O 0 0 0 0 0 1.4563 -0.1672 0.1668 N 0 0 0 0 0 2.8101 -0.5171 0.2385 C 0 0 0 0 0 3.7740 0.4652 0.4269 C 0 0 0 0 0 3.1916 -1.8469 0.1267 C 0 0 0 0 0 4.5287 -2.1884 0.1980 C 0 0 0 0 0 5.4850 -1.2086 0.3812 C 0 0 0 0 0 5.1086 0.1171 0.4983 C 0 0 0 0 0 6.1546 1.1827 0.7020 C 0 0 0 0 0 6.3711 1.3665 2.0726 F 0 0 0 0 0 7.3483 0.7869 0.0902 F 0 0 0 0 0 5.7146 2.3827 0.1343 F 0 0 0 0 0 -4.0885 2.5421 1.5355 H 0 0 0 0 0 -2.4269 2.6407 0.9049 H 0 0 0 0 0 -3.6594 3.7963 0.3474 H 0 0 0 0 0 -5.7421 -0.4814 -0.0643 H 0 0 0 0 0 -3.0746 -3.4864 1.4365 H 0 0 0 0 0 -1.1747 -1.9712 1.0611 H 0 0 0 0 0 -1.6139 1.5241 -0.1614 H 0 0 0 0 0 -0.8664 0.9168 2.1270 H 0 0 0 0 0 0.9279 -0.8153 -3.1060 H 0 0 0 0 0 2.4085 -0.0724 -2.4560 H 0 0 0 0 0 1.9981 -1.7528 -2.0378 H 0 0 0 0 0 3.4800 1.5005 0.5182 H 0 0 0 0 0 2.4444 -2.6139 -0.0159 H 0 0 0 0 0 4.8253 -3.2231 0.1110 H 0 0 0 0 0 6.5300 -1.4781 0.4376 H 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 5 6 1 0 0 0 5 12 2 0 0 0 6 7 2 0 0 0 7 8 1 0 0 0 7 10 1 0 0 0 8 9 3 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 19 1 0 0 0 14 15 2 0 0 0 14 17 1 0 0 0 15 16 1 0 0 0 15 22 1 0 0 0 17 18 3 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 23 25 2 0 0 0 24 28 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 6 36 1 0 0 0 10 37 1 0 0 0 11 38 1 0 0 0 13 39 1 0 0 0 19 40 1 0 0 0 16 41 1 0 0 0 16 42 1 0 0 0 16 43 1 0 0 0 24 44 1 0 0 0 25 45 1 0 0 0 26 46 1 0 0 0 27 47 1 0 0 0 M END $$$$