FXS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 46 48 0 0 0 0 0 0 0 0999 V2000 4.3182 4.2570 -0.2335 C 0 0 0 0 0 3.0647 3.7385 0.0397 C 0 0 0 0 0 2.8918 2.3761 0.1733 C 0 0 0 0 0 5.4058 3.4136 -0.3802 C 0 0 0 0 0 5.2459 2.0496 -0.2557 C 0 0 0 0 0 3.9862 1.5204 0.0312 C 0 0 0 0 0 3.8072 0.0597 0.1670 C 0 0 0 0 0 4.4739 -0.5613 0.9695 O 0 0 0 0 0 2.9054 -0.5819 -0.6003 O 0 0 0 0 0 2.7913 -1.9253 -0.4263 C 0 0 0 0 0 3.5794 -2.7927 -1.1709 C 0 0 0 0 0 4.8115 -2.1068 -2.4303 BR 0 0 0 0 0 3.4619 -4.1580 -0.9910 C 0 0 0 0 0 2.5594 -4.6594 -0.0700 C 0 0 0 0 0 2.4014 -6.5280 0.1738 BR 0 0 0 0 0 1.7745 -3.7970 0.6730 C 0 0 0 0 0 1.8924 -2.4312 0.5011 C 0 0 0 0 0 1.0403 -1.4918 1.3156 C 0 0 0 0 0 -0.0980 -1.0435 0.5107 N 0 0 0 0 0 -1.0010 -0.1922 1.0361 C 0 0 0 0 0 -0.8700 0.2037 2.1783 O 0 0 0 0 0 -2.1501 0.2609 0.2247 C 0 0 0 0 0 -2.4177 1.6244 0.0869 C 0 0 0 0 0 -1.5509 2.6212 0.7538 N 0 3 0 0 0 -0.5308 2.2622 1.3156 O 0 0 0 0 0 -1.8563 3.7998 0.7408 O 0 5 0 0 0 -2.9700 -0.6723 -0.4129 C 0 0 0 0 0 -4.0403 -0.2429 -1.1697 C 0 0 0 0 0 -4.3029 1.1096 -1.2965 C 0 0 0 0 0 -3.4917 2.0398 -0.6728 C 0 0 0 0 0 6.4103 1.1488 -0.4133 N 0 3 0 0 0 6.2499 -0.0580 -0.4209 O 0 5 0 0 0 7.5288 1.6159 -0.5347 O 0 0 0 0 0 4.4475 5.3236 -0.3364 H 0 0 0 0 0 2.2194 4.4021 0.1492 H 0 0 0 0 0 1.9131 1.9731 0.3862 H 0 0 0 0 0 6.3811 3.8245 -0.5935 H 0 0 0 0 0 4.0740 -4.8323 -1.5701 H 0 0 0 0 0 1.0713 -4.1915 1.3918 H 0 0 0 0 0 0.6766 -2.0095 2.2039 H 0 0 0 0 0 1.6354 -0.6300 1.6162 H 0 0 0 0 0 -0.2027 -1.3592 -0.4007 H 0 0 0 0 0 -2.7651 -1.7286 -0.3151 H 0 0 0 0 0 -4.6746 -0.9639 -1.6629 H 0 0 0 0 0 -5.1427 1.4407 -1.8905 H 0 0 0 0 0 -3.7001 3.0943 -0.7792 H 0 0 0 0 0 32 31 1 0 0 0 31 33 2 0 0 0 31 5 1 0 0 0 5 4 2 0 0 0 5 6 1 0 0 0 4 1 1 0 0 0 8 7 2 0 0 0 12 11 1 0 0 0 6 7 1 0 0 0 6 3 2 0 0 0 1 2 2 0 0 0 7 9 1 0 0 0 11 13 2 0 0 0 11 10 1 0 0 0 13 14 1 0 0 0 3 2 1 0 0 0 9 10 1 0 0 0 10 17 2 0 0 0 14 15 1 0 0 0 14 16 2 0 0 0 17 16 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 21 20 2 0 0 0 19 20 1 0 0 0 20 22 1 0 0 0 25 24 2 0 0 0 24 26 1 0 0 0 24 23 1 0 0 0 22 23 2 0 0 0 22 27 1 0 0 0 23 30 1 0 0 0 27 28 2 0 0 0 30 29 2 0 0 0 28 29 1 0 0 0 1 34 1 0 0 0 2 35 1 0 0 0 3 36 1 0 0 0 4 37 1 0 0 0 13 38 1 0 0 0 16 39 1 0 0 0 18 40 1 0 0 0 18 41 1 0 0 0 19 42 1 0 0 0 27 43 1 0 0 0 28 44 1 0 0 0 29 45 1 0 0 0 30 46 1 0 0 0 M END $$$$