C3V Converted by convert_cif2sdf.py 2026/01/30 11:05:38 50 54 0 0 0 0 0 0 0 0999 V2000 3.3146 -0.4617 -0.5515 C 0 0 0 0 0 4.3947 -1.1808 -1.0972 C 0 0 0 0 0 -0.4052 -0.4707 -1.0860 C 0 0 0 0 0 1.8926 -0.8884 -0.5402 C 0 0 0 0 0 1.5346 -2.1073 0.0305 C 0 0 0 0 0 0.2114 -2.5076 0.0444 C 0 0 0 0 0 -0.7600 -1.6888 -0.5124 C 0 0 0 0 0 0.9129 -0.0707 -1.1007 C 0 0 0 0 0 1.2956 1.2485 -1.7222 C 0 0 0 0 0 5.1443 0.6992 -0.2408 N 0 0 0 0 0 3.8118 0.6964 -0.0295 C 0 0 0 0 0 6.0758 1.7562 0.1601 C 0 0 0 0 0 -2.4532 -3.4577 -0.1778 C 0 0 0 0 0 -1.6206 -3.8739 1.0421 C 0 0 0 0 0 -0.1391 -3.8343 0.6649 C 0 0 0 0 0 -3.1101 -1.1370 -0.7987 C 0 0 0 0 0 -3.9595 -1.3600 -1.8762 C 0 0 0 0 0 -4.9502 -0.4407 -2.1596 C 0 0 0 0 0 -5.0896 0.6901 -1.3745 C 0 0 0 0 0 -4.2484 0.9358 -0.2882 C 0 0 0 0 0 -3.2478 -0.0086 -0.0143 C 0 0 0 0 0 -5.5275 2.8781 -0.0315 C 0 0 0 0 0 -3.7200 2.4997 1.5563 C 0 0 0 0 0 2.4866 1.0973 -2.4403 F 0 0 0 0 0 0.2797 1.6684 -2.5866 F 0 0 0 0 0 -2.1079 -2.0670 -0.5033 N 0 0 0 0 0 -4.5204 2.1088 0.3932 N 0 0 0 0 0 5.4837 -0.4835 -0.9088 N 0 0 0 0 0 -5.8961 3.9325 0.4510 O 0 0 0 0 0 -6.2178 2.0513 -1.4378 S 0 0 0 0 0 4.3347 -2.1424 -1.5866 H 0 0 0 0 0 -1.1641 0.1594 -1.5241 H 0 0 0 0 0 2.2939 -2.7411 0.4641 H 0 0 0 0 0 1.4356 1.9924 -0.9375 H 0 0 0 0 0 3.2426 1.4703 0.4627 H 0 0 0 0 0 6.4504 1.5506 1.1628 H 0 0 0 0 0 6.9099 1.7906 -0.5397 H 0 0 0 0 0 5.5586 2.7162 0.1557 H 0 0 0 0 0 -2.2182 -4.1042 -1.0232 H 0 0 0 0 0 -3.5144 -3.5299 0.0581 H 0 0 0 0 0 -1.8069 -3.1841 1.8644 H 0 0 0 0 0 -1.8939 -4.8857 1.3426 H 0 0 0 0 0 0.0724 -4.6321 -0.0467 H 0 0 0 0 0 0.4634 -3.9832 1.5609 H 0 0 0 0 0 -3.8470 -2.2439 -2.4862 H 0 0 0 0 0 -5.6162 -0.6037 -2.9938 H 0 0 0 0 0 -2.5812 0.1462 0.8207 H 0 0 0 0 0 -2.8749 3.1040 1.2289 H 0 0 0 0 0 -4.3377 3.0794 2.2429 H 0 0 0 0 0 -3.3549 1.6069 2.0625 H 0 0 0 0 0 30 19 1 0 0 0 30 22 1 0 0 0 18 19 2 0 0 0 18 17 1 0 0 0 19 20 1 0 0 0 29 22 2 0 0 0 22 27 1 0 0 0 17 16 2 0 0 0 24 9 1 0 0 0 20 27 1 0 0 0 20 21 2 0 0 0 27 23 1 0 0 0 16 21 1 0 0 0 16 26 1 0 0 0 9 25 1 0 0 0 9 8 1 0 0 0 3 8 2 0 0 0 3 7 1 0 0 0 8 4 1 0 0 0 26 7 1 0 0 0 26 13 1 0 0 0 7 6 2 0 0 0 13 14 1 0 0 0 4 1 1 0 0 0 4 5 2 0 0 0 6 5 1 0 0 0 6 15 1 0 0 0 14 15 1 0 0 0 2 1 1 0 0 0 2 28 2 0 0 0 1 11 2 0 0 0 28 10 1 0 0 0 11 10 1 0 0 0 10 12 1 0 0 0 2 31 1 0 0 0 3 32 1 0 0 0 5 33 1 0 0 0 9 34 1 0 0 0 11 35 1 0 0 0 12 36 1 0 0 0 12 37 1 0 0 0 12 38 1 0 0 0 13 39 1 0 0 0 13 40 1 0 0 0 14 41 1 0 0 0 14 42 1 0 0 0 15 43 1 0 0 0 15 44 1 0 0 0 17 45 1 0 0 0 18 46 1 0 0 0 21 47 1 0 0 0 23 48 1 0 0 0 23 49 1 0 0 0 23 50 1 0 0 0 M END $$$$