JKB Converted by convert_cif2sdf.py 2024/03/29 11:09:15 45 47 0 0 0 0 0 0 0 0999 V2000 5.3346 -1.6856 -0.2813 C 0 0 0 0 0 6.5881 -1.4770 0.2626 C 0 0 0 0 0 4.6114 -0.6183 -0.7824 C 0 0 0 0 0 7.1173 -0.1983 0.3104 C 0 0 0 0 0 5.1396 0.6584 -0.7347 C 0 0 0 0 0 6.3900 0.8707 -0.1858 C 0 0 0 0 0 3.2475 -0.8476 -1.3802 C 0 0 0 0 0 2.2267 -0.7306 -0.3306 N 0 0 0 0 0 1.2203 0.6828 1.3981 C 0 0 0 0 0 2.1620 0.6422 0.1893 C 0 0 0 0 0 -0.0728 0.1064 1.0026 N 0 0 0 0 0 -0.0771 -1.2112 0.3489 C 0 0 0 0 0 0.9157 -1.1770 -0.8193 C 0 0 0 0 0 -1.2250 0.7672 1.2335 C 0 0 0 0 0 -2.5043 0.2189 0.7358 C 0 0 0 0 0 -4.4810 0.4430 -0.6097 C 0 0 0 0 0 -3.2876 0.9605 -0.1496 C 0 0 0 0 0 -4.9017 -0.8085 -0.1955 C 0 0 0 0 0 -4.1261 -1.5514 0.6765 C 0 0 0 0 0 -2.9310 -1.0453 1.1451 C 0 0 0 0 0 -1.2112 1.8143 1.8509 O 0 0 0 0 0 -6.1831 -1.3577 -0.6934 N 0 3 0 0 0 -6.8648 -0.7075 -1.4656 O 0 5 0 0 0 -6.5551 -2.4587 -0.3301 O 0 0 0 0 0 -2.8402 2.2995 -0.5925 N 0 3 0 0 0 -1.7323 2.7041 -0.2862 O 0 0 0 0 0 8.3422 0.0070 0.8420 F 0 0 0 0 0 4.9210 -2.6819 -0.3188 H 0 0 0 0 0 7.1547 -2.3104 0.6499 H 0 0 0 0 0 4.5742 1.4910 -1.1261 H 0 0 0 0 0 6.8016 1.8681 -0.1483 H 0 0 0 0 0 3.0599 -0.1036 -2.1536 H 0 0 0 0 0 3.2059 -1.8456 -1.8177 H 0 0 0 0 0 1.6478 0.0996 2.2140 H 0 0 0 0 0 1.0791 1.7156 1.7178 H 0 0 0 0 0 3.1583 0.9634 0.4935 H 0 0 0 0 0 1.7848 1.3082 -0.5866 H 0 0 0 0 0 0.2255 -1.9759 1.0631 H 0 0 0 0 0 -1.0763 -1.4306 -0.0264 H 0 0 0 0 0 0.5562 -0.4858 -1.5813 H 0 0 0 0 0 1.0078 -2.1761 -1.2473 H 0 0 0 0 0 -5.0881 1.0164 -1.2951 H 0 0 0 0 0 -4.4607 -2.5272 0.9963 H 0 0 0 0 0 -2.3269 -1.6265 1.8260 H 0 0 0 0 0 -3.5791 2.9979 -1.2631 O 0 5 0 0 0 9 11 1 0 0 0 9 10 1 0 0 0 21 14 2 0 0 0 14 11 1 0 0 0 14 15 1 0 0 0 11 12 1 0 0 0 10 8 1 0 0 0 20 15 2 0 0 0 20 19 1 0 0 0 8 7 1 0 0 0 8 13 1 0 0 0 27 4 1 0 0 0 6 4 2 0 0 0 6 5 1 0 0 0 4 2 1 0 0 0 5 3 2 0 0 0 12 13 1 0 0 0 15 17 1 0 0 0 2 1 2 0 0 0 3 1 1 0 0 0 3 7 1 0 0 0 19 18 2 0 0 0 17 25 1 0 0 0 17 16 2 0 0 0 18 16 1 0 0 0 18 22 1 0 0 0 26 25 2 0 0 0 24 22 2 0 0 0 1 28 1 0 0 0 2 29 1 0 0 0 5 30 1 0 0 0 6 31 1 0 0 0 7 32 1 0 0 0 7 33 1 0 0 0 9 34 1 0 0 0 9 35 1 0 0 0 10 36 1 0 0 0 10 37 1 0 0 0 12 38 1 0 0 0 12 39 1 0 0 0 13 40 1 0 0 0 13 41 1 0 0 0 16 42 1 0 0 0 19 43 1 0 0 0 20 44 1 0 0 0 22 23 1 0 0 0 25 45 1 0 0 0 M END $$$$