9JA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 49 51 0 0 0 0 0 0 0 0999 V2000 -0.7690 0.5933 1.7621 C 0 0 0 0 0 3.7996 0.3843 -0.0588 C 0 0 0 0 0 1.5169 1.3059 1.9572 C 0 0 0 0 0 0.2934 1.0395 2.5364 C 0 0 0 0 0 5.0551 0.6083 -0.6387 C 0 0 0 0 0 5.4002 1.9416 -1.1693 C 0 0 0 0 0 5.9780 -0.4368 -0.7118 C 0 0 0 0 0 5.6505 -1.6800 -0.2144 C 0 0 0 0 0 -1.9102 0.7090 -1.5716 O 0 0 0 0 0 -1.7605 -0.1085 -0.4858 B 0 0 0 0 0 -1.4955 -1.3838 -0.9007 O 0 0 0 0 0 -3.0287 -0.0929 0.3440 N 0 0 0 0 0 -4.4631 0.4527 -0.2784 S 0 0 0 0 0 -4.0783 1.3623 -1.2998 O 0 0 0 0 0 -5.2345 -1.0230 -0.9978 C 0 0 0 0 0 -6.5840 -0.6451 -1.6136 C 0 0 0 0 0 -5.1938 0.8934 0.8574 O 0 0 0 0 0 -2.9360 -0.5499 1.6352 N 0 0 0 0 0 -2.0913 0.3400 2.4341 C 0 0 0 0 0 1.6912 1.1288 0.5929 C 0 0 0 0 0 2.8944 1.3931 0.0176 O 0 0 0 0 0 4.5418 2.9077 -1.0981 N 0 0 0 0 0 4.8726 4.1869 -1.6077 O 0 0 0 0 0 6.6477 -2.8067 -0.2945 C 0 0 0 0 0 5.9670 -4.0248 -0.3978 F 0 0 0 0 0 7.4626 -2.6308 -1.4178 F 0 0 0 0 0 7.4381 -2.8118 0.8600 F 0 0 0 0 0 4.4078 -1.8972 0.3575 C 0 0 0 0 0 3.4843 -0.8732 0.4313 C 0 0 0 0 0 0.6323 0.6782 -0.1812 C 0 0 0 0 0 -0.5913 0.4093 0.4053 C 0 0 0 0 0 2.3378 1.6534 2.5666 H 0 0 0 0 0 0.1610 1.1792 3.5990 H 0 0 0 0 0 6.3688 2.1106 -1.6149 H 0 0 0 0 0 6.9483 -0.2710 -1.1582 H 0 0 0 0 0 -1.1259 0.7602 -2.1363 H 0 0 0 0 0 -0.6896 -1.4648 -1.4303 H 0 0 0 0 0 -4.5842 -1.4325 -1.7719 H 0 0 0 0 0 -5.3873 -1.7700 -0.2191 H 0 0 0 0 0 -7.2334 -0.2366 -0.8394 H 0 0 0 0 0 -6.4313 0.1019 -2.3923 H 0 0 0 0 0 -7.0469 -1.5323 -2.0450 H 0 0 0 0 0 -2.5881 -1.4971 1.6592 H 0 0 0 0 0 -1.9138 -0.1155 3.4079 H 0 0 0 0 0 -2.6070 1.2899 2.5746 H 0 0 0 0 0 4.1694 4.8429 -1.5096 H 0 0 0 0 0 4.1584 -2.8745 0.7449 H 0 0 0 0 0 2.5177 -1.0503 0.8805 H 0 0 0 0 0 0.7626 0.5377 -1.2436 H 0 0 0 0 0 14 13 2 0 0 0 18 19 1 0 0 0 18 12 1 0 0 0 16 15 1 0 0 0 13 15 1 0 0 0 13 12 1 0 0 0 13 17 2 0 0 0 19 1 1 0 0 0 12 10 1 0 0 0 1 4 2 0 0 0 1 31 1 0 0 0 10 9 1 0 0 0 10 31 1 0 0 0 10 11 1 0 0 0 4 3 1 0 0 0 31 30 2 0 0 0 3 20 2 0 0 0 30 20 1 0 0 0 20 21 1 0 0 0 29 28 2 0 0 0 29 2 1 0 0 0 28 8 1 0 0 0 21 2 1 0 0 0 2 5 2 0 0 0 26 24 1 0 0 0 8 24 1 0 0 0 8 7 2 0 0 0 5 7 1 0 0 0 5 6 1 0 0 0 24 27 1 0 0 0 24 25 1 0 0 0 6 22 2 0 0 0 22 23 1 0 0 0 3 32 1 0 0 0 4 33 1 0 0 0 6 34 1 0 0 0 7 35 1 0 0 0 9 36 1 0 0 0 11 37 1 0 0 0 15 38 1 0 0 0 15 39 1 0 0 0 16 40 1 0 0 0 16 41 1 0 0 0 16 42 1 0 0 0 18 43 1 0 0 0 19 44 1 0 0 0 19 45 1 0 0 0 23 46 1 0 0 0 28 47 1 0 0 0 29 48 1 0 0 0 30 49 1 0 0 0 M END $$$$