CR4 Converted by convert_cif2sdf.py 2024/03/29 11:09:15 31 33 0 0 0 0 0 0 0 0999 V2000 -2.7986 0.1005 0.0621 C 0 0 0 0 0 -2.6227 -1.2569 -0.2310 C 0 0 0 0 0 -1.3680 -1.7832 -0.3519 C 0 0 0 0 0 -0.2519 -0.9734 -0.1827 C 0 0 0 0 0 -0.4096 0.3946 0.1129 C 0 0 0 0 0 -1.6939 0.9285 0.2299 C 0 0 0 0 0 -4.1616 0.6563 0.1894 C 0 0 0 0 0 -4.3310 1.9483 0.4682 N 0 0 0 0 0 -5.2213 -0.1337 0.0235 N 0 3 0 0 0 1.1067 -1.2000 -0.2372 N 0 0 0 0 0 0.8323 0.9270 0.2224 N 0 0 0 0 0 1.7294 -0.0067 0.0173 C 0 0 0 0 0 3.1918 0.1976 0.0549 C 0 0 0 0 0 3.7539 1.3543 -0.4869 C 0 0 0 0 0 5.1199 1.5402 -0.4484 C 0 0 0 0 0 5.9371 0.5817 0.1262 C 0 0 0 0 0 5.3943 -0.5677 0.6657 C 0 0 0 0 0 4.0228 -0.7666 0.6401 C 0 0 0 0 0 3.4876 -1.8959 1.1692 O 0 5 0 0 0 -3.4857 -1.8935 -0.3640 H 0 0 0 0 0 -1.2430 -2.8316 -0.5785 H 0 0 0 0 0 -1.8288 1.9777 0.4502 H 0 0 0 0 0 -3.5604 2.5234 0.5893 H 0 0 0 0 0 -5.2262 2.3127 0.5514 H 0 0 0 0 0 -6.1164 0.2307 0.1067 H 0 0 0 0 0 -5.0977 -1.0734 -0.1837 H 0 0 0 0 0 1.5415 -2.0474 -0.4227 H 0 0 0 0 0 3.1193 2.1042 -0.9359 H 0 0 0 0 0 5.5531 2.4354 -0.8680 H 0 0 0 0 0 7.0062 0.7338 0.1531 H 0 0 0 0 0 6.0381 -1.3110 1.1124 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 1 7 1 0 0 0 2 3 1 0 0 0 2 20 1 0 0 0 3 4 2 0 0 0 3 21 1 0 0 0 4 5 1 0 0 0 4 10 1 0 0 0 5 6 2 0 0 0 5 11 1 0 0 0 6 22 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 8 23 1 0 0 0 8 24 1 0 0 0 9 25 1 0 0 0 9 26 1 0 0 0 10 12 1 0 0 0 10 27 1 0 0 0 11 12 2 0 0 0 12 13 1 0 0 0 13 14 2 0 0 0 13 18 1 0 0 0 14 15 1 0 0 0 14 28 1 0 0 0 15 16 2 0 0 0 15 29 1 0 0 0 16 17 1 0 0 0 16 30 1 0 0 0 17 18 2 0 0 0 17 31 1 0 0 0 18 19 1 0 0 0 M END $$$$