9TJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 45 47 0 0 0 0 0 0 0 0999 V2000 1.5290 -0.8841 -0.3520 C 0 0 0 0 0 0.5080 -0.6469 -1.4662 C 0 0 0 0 0 -1.8079 0.2008 -1.0107 C 0 0 0 0 0 1.3147 -2.3145 0.2584 B 0 0 0 0 0 1.4353 -3.4634 -0.5663 O 0 0 0 0 0 1.0008 -2.4584 1.6366 O 0 0 0 0 0 2.8832 -0.7850 -0.9013 N 0 0 0 0 0 -0.8462 -0.7451 -0.9168 N 0 0 0 0 0 -2.8993 -0.3052 -0.3653 C 0 0 0 0 0 -2.5397 -1.5226 0.0804 N 0 0 0 0 0 -1.3215 -1.7466 -0.2642 N 0 0 0 0 0 -4.2175 0.3556 -0.1907 C 0 0 0 0 0 -5.1995 -0.2457 0.5883 C 0 0 0 0 0 -6.4345 0.3799 0.7490 C 0 0 0 0 0 -6.6776 1.6068 0.1255 C 0 0 0 0 0 -5.6976 2.1965 -0.6460 C 0 0 0 0 0 -4.4702 1.5813 -0.8030 C 0 0 0 0 0 -7.4848 -0.2511 1.5744 C 0 0 0 0 0 -7.2719 -1.3181 2.1156 O 0 0 0 0 0 -8.6766 0.3555 1.7280 O 0 0 0 0 0 3.8289 -0.0855 -0.2422 C 0 0 0 0 0 3.5585 0.4616 0.8058 O 0 0 0 0 0 5.2217 0.0159 -0.8075 C 0 0 0 0 0 6.0790 0.8449 0.1148 C 0 0 0 0 0 6.8063 0.3678 1.1256 C 0 0 0 0 0 7.5155 1.3208 1.8357 C 0 0 0 0 0 7.3634 2.5727 1.4013 C 0 0 0 0 0 6.2780 2.5900 0.0173 S 0 0 0 0 0 1.3978 -0.1329 0.4271 H 0 0 0 0 0 0.6563 0.3464 -1.8903 H 0 0 0 0 0 0.6392 -1.3972 -2.2452 H 0 0 0 0 0 -1.7271 1.1628 -1.4937 H 0 0 0 0 0 1.2858 -4.2983 -0.1022 H 0 0 0 0 0 0.8875 -3.3760 1.9193 H 0 0 0 0 0 3.1004 -1.2228 -1.7391 H 0 0 0 0 0 -5.0066 -1.1944 1.0678 H 0 0 0 0 0 -7.6340 2.0943 0.2480 H 0 0 0 0 0 -5.8886 3.1454 -1.1265 H 0 0 0 0 0 -3.7052 2.0505 -1.4056 H 0 0 0 0 0 -9.3317 -0.0961 2.2775 H 0 0 0 0 0 5.6502 -0.9828 -0.9006 H 0 0 0 0 0 5.1820 0.4874 -1.7885 H 0 0 0 0 0 6.8401 -0.6841 1.3708 H 0 0 0 0 0 8.1433 1.0700 2.6771 H 0 0 0 0 0 7.8369 3.4430 1.8319 H 0 0 0 0 0 25 26 1 0 0 0 25 24 2 0 0 0 26 27 2 0 0 0 24 23 1 0 0 0 24 28 1 0 0 0 23 21 1 0 0 0 27 28 1 0 0 0 22 21 2 0 0 0 21 7 1 0 0 0 7 1 1 0 0 0 1 4 1 0 0 0 1 2 1 0 0 0 19 18 2 0 0 0 4 5 1 0 0 0 4 6 1 0 0 0 2 8 1 0 0 0 18 20 1 0 0 0 18 14 1 0 0 0 3 8 1 0 0 0 3 9 2 0 0 0 8 11 1 0 0 0 13 14 2 0 0 0 13 12 1 0 0 0 14 15 1 0 0 0 9 12 1 0 0 0 9 10 1 0 0 0 11 10 2 0 0 0 12 17 2 0 0 0 15 16 2 0 0 0 17 16 1 0 0 0 1 29 1 0 0 0 2 30 1 0 0 0 2 31 1 0 0 0 3 32 1 0 0 0 5 33 1 0 0 0 6 34 1 0 0 0 7 35 1 0 0 0 13 36 1 0 0 0 15 37 1 0 0 0 16 38 1 0 0 0 17 39 1 0 0 0 20 40 1 0 0 0 23 41 1 0 0 0 23 42 1 0 0 0 25 43 1 0 0 0 26 44 1 0 0 0 27 45 1 0 0 0 M END $$$$