CUF Converted by convert_cif2sdf.py 2026/09/04 11:06:02 83 90 0 0 0 0 0 0 0 0999 V2000 21.1789 28.8860 5.1246 C 0 0 0 0 0 18.5719 36.6997 3.0214 F 0 0 0 0 0 20.5343 31.6644 4.2448 N 0 0 0 0 0 19.9407 29.0830 5.2285 O 0 5 0 0 0 19.0805 30.4323 4.1683 CU 0 0 0 0 0 21.6731 27.5848 5.4524 C 0 0 0 0 0 21.1790 36.4406 3.5961 F 0 0 0 0 0 17.9796 31.9177 3.6845 N 0 0 0 0 0 17.8873 29.0933 3.4950 O 0 5 0 0 0 23.0248 27.2765 5.3759 C 0 0 0 0 0 26.0885 24.1577 4.0707 N 0 0 0 0 0 23.2474 25.9561 5.7310 O 0 0 0 0 0 23.9251 28.2623 4.9900 C 0 0 0 0 0 10.7540 24.8660 3.8641 N 0 0 0 0 0 13.8705 26.8917 3.5812 O 0 0 0 0 0 23.4658 29.5252 4.6823 C 0 0 0 0 0 22.1053 29.8835 4.7464 C 0 0 0 0 0 21.7441 31.2440 4.3885 C 0 0 0 0 0 20.1042 32.9889 3.9504 C 0 0 0 0 0 20.9258 34.1194 3.9215 C 0 0 0 0 0 20.3904 35.3440 3.6151 C 0 0 0 0 0 19.0599 35.4763 3.3222 C 0 0 0 0 0 18.2266 34.3875 3.3290 C 0 0 0 0 0 18.7340 33.1246 3.6475 C 0 0 0 0 0 16.7026 31.7864 3.5788 C 0 0 0 0 0 16.0016 30.5133 3.5864 C 0 0 0 0 0 14.5939 30.5364 3.6158 C 0 0 0 0 0 13.8250 29.3925 3.6231 C 0 0 0 0 0 14.4441 28.1499 3.5813 C 0 0 0 0 0 15.8290 28.0787 3.5414 C 0 0 0 0 0 16.6405 29.2544 3.5414 C 0 0 0 0 0 24.5454 25.3324 5.6781 C 0 0 0 0 0 24.7449 24.7378 4.3012 C 0 0 0 0 0 26.9699 24.9795 3.1810 C 0 0 0 0 0 28.3893 24.4209 3.0997 C 0 0 0 0 0 28.4002 22.9495 2.6996 C 0 0 0 0 0 27.4846 22.1256 3.5987 C 0 0 0 0 0 26.0781 22.7137 3.6722 C 0 0 0 0 0 12.4475 26.7032 3.6660 C 0 0 0 0 0 12.1895 25.2289 3.8534 C 0 0 0 0 0 10.3499 23.9078 2.7873 C 0 0 0 0 0 8.8376 23.7008 2.7396 C 0 0 0 0 0 8.2768 23.2892 4.0964 C 0 0 0 0 0 8.7127 24.2569 5.1928 C 0 0 0 0 0 10.2266 24.4582 5.2054 C 0 0 0 0 0 21.0592 26.9239 5.7117 H 0 0 0 0 0 24.8450 28.0777 4.9342 H 0 0 0 0 0 24.0910 30.1784 4.4203 H 0 0 0 0 0 22.4484 31.8505 4.2447 H 0 0 0 0 0 21.8368 34.0459 4.1248 H 0 0 0 0 0 17.3178 34.4943 3.1271 H 0 0 0 0 0 16.1776 32.5627 3.5007 H 0 0 0 0 0 14.1584 31.3704 3.6476 H 0 0 0 0 0 12.8879 29.4628 3.6519 H 0 0 0 0 0 16.2517 27.2400 3.5142 H 0 0 0 0 0 24.5896 24.6267 6.3452 H 0 0 0 0 0 25.2442 25.9791 5.8675 H 0 0 0 0 0 24.0620 24.0435 4.1714 H 0 0 0 0 0 24.5745 25.4407 3.6378 H 0 0 0 0 0 27.0100 25.8911 3.5242 H 0 0 0 0 0 26.5851 25.0142 2.2849 H 0 0 0 0 0 28.8287 24.5251 3.9710 H 0 0 0 0 0 28.9018 24.9390 2.4423 H 0 0 0 0 0 29.3140 22.6028 2.7617 H 0 0 0 0 0 28.1089 22.8611 1.7681 H 0 0 0 0 0 27.8659 22.0836 4.5020 H 0 0 0 0 0 27.4327 21.2081 3.2532 H 0 0 0 0 0 25.6418 22.6194 2.8042 H 0 0 0 0 0 25.5592 22.2056 4.3233 H 0 0 0 0 0 12.0239 27.0163 2.8491 H 0 0 0 0 0 12.0906 27.1997 4.4219 H 0 0 0 0 0 12.6452 24.7457 3.1303 H 0 0 0 0 0 12.6035 24.9516 4.6998 H 0 0 0 0 0 10.7896 23.0494 2.9345 H 0 0 0 0 0 10.6473 24.2510 1.9242 H 0 0 0 0 0 8.6291 23.0066 2.0792 H 0 0 0 0 0 8.4061 24.5323 2.4460 H 0 0 0 0 0 8.5828 22.3858 4.3174 H 0 0 0 0 0 7.2991 23.2706 4.0513 H 0 0 0 0 0 8.4272 23.9078 6.0641 H 0 0 0 0 0 8.2721 25.1228 5.0577 H 0 0 0 0 0 10.4471 25.1473 5.8597 H 0 0 0 0 0 10.6606 23.6304 5.4869 H 0 0 0 0 0 1 4 1 0 0 0 1 6 2 0 0 0 1 17 1 0 0 0 2 22 1 0 0 0 3 18 2 0 0 0 3 19 1 0 0 0 6 10 1 0 0 0 6 46 1 0 0 0 7 21 1 0 0 0 8 24 1 0 0 0 8 25 2 0 0 0 9 31 1 0 0 0 10 12 1 0 0 0 10 13 2 0 0 0 11 33 1 0 0 0 11 34 1 0 0 0 11 38 1 0 0 0 12 32 1 0 0 0 13 16 1 0 0 0 13 47 1 0 0 0 14 40 1 0 0 0 14 41 1 0 0 0 14 45 1 0 0 0 15 29 1 0 0 0 15 39 1 0 0 0 16 17 2 0 0 0 16 48 1 0 0 0 17 18 1 0 0 0 18 49 1 0 0 0 19 20 2 0 0 0 19 24 1 0 0 0 20 21 1 0 0 0 20 50 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 23 51 1 0 0 0 25 26 1 0 0 0 25 52 1 0 0 0 26 27 2 0 0 0 26 31 1 0 0 0 27 28 1 0 0 0 27 53 1 0 0 0 28 29 2 0 0 0 28 54 1 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 30 55 1 0 0 0 32 33 1 0 0 0 32 56 1 0 0 0 32 57 1 0 0 0 33 58 1 0 0 0 33 59 1 0 0 0 34 35 1 0 0 0 34 60 1 0 0 0 34 61 1 0 0 0 35 36 1 0 0 0 35 62 1 0 0 0 35 63 1 0 0 0 36 37 1 0 0 0 36 64 1 0 0 0 36 65 1 0 0 0 37 38 1 0 0 0 37 66 1 0 0 0 37 67 1 0 0 0 38 68 1 0 0 0 38 69 1 0 0 0 39 40 1 0 0 0 39 70 1 0 0 0 39 71 1 0 0 0 40 72 1 0 0 0 40 73 1 0 0 0 41 42 1 0 0 0 41 74 1 0 0 0 41 75 1 0 0 0 42 43 1 0 0 0 42 76 1 0 0 0 42 77 1 0 0 0 43 44 1 0 0 0 43 78 1 0 0 0 43 79 1 0 0 0 44 45 1 0 0 0 44 80 1 0 0 0 44 81 1 0 0 0 45 82 1 0 0 0 45 83 1 0 0 0 9 5 1 0 0 0 4 5 1 0 0 0 3 5 1 0 0 0 8 5 1 0 0 0 M END $$$$