FDD Converted by convert_cif2sdf.py 2024/03/29 11:09:15 73 80 0 0 0 0 0 0 0 0999 V2000 4.4868 18.8789 36.5957 O 0 0 0 0 0 5.3035 18.0800 37.0981 C 0 0 0 0 0 4.9161 17.0804 37.7416 O 0 0 0 0 0 6.7951 18.3023 36.9747 C 0 0 0 0 0 7.3565 18.0715 35.5677 C 0 0 0 0 0 8.8256 18.3141 35.6200 C 0 0 0 0 0 9.8907 17.3415 35.6309 C 0 0 0 0 0 9.7591 15.8449 35.5800 C 0 0 0 0 0 9.4730 19.5985 35.6803 C 0 0 0 0 0 8.8904 20.7945 35.7073 C 0 0 0 0 0 10.8258 19.4623 35.7640 N 0 3 0 0 0 11.0508 18.1222 35.7335 C 0 0 0 0 0 12.3271 17.7237 35.7405 C 0 0 0 0 0 13.5295 18.2593 35.6443 C 0 0 0 0 0 14.7505 17.6272 35.4764 C 0 0 0 0 0 15.0956 16.1824 35.4348 C 0 0 0 0 0 15.7024 18.7061 35.3487 C 0 0 0 0 0 17.1959 18.6597 35.1576 C 0 0 0 0 0 12.1909 20.9582 35.8550 FE 0 1 0 0 0 10.7118 22.2261 36.1071 N 0 0 0 0 0 9.3180 22.0411 35.8273 C 0 0 0 0 0 13.6490 19.6052 35.6490 N 0 0 0 0 0 14.9568 19.8468 35.4881 C 0 0 0 0 0 15.5653 21.1600 35.5025 C 0 0 0 0 0 14.8474 22.3655 35.8163 C 0 0 0 0 0 15.5078 23.5732 36.0277 C 0 0 0 0 0 16.9625 23.8935 35.9214 C 0 0 0 0 0 14.4618 24.4998 36.3431 C 0 0 0 0 0 14.6002 25.9646 36.6484 C 0 0 0 0 0 13.5274 22.4165 35.9919 N 0 3 0 0 0 13.3073 23.7162 36.2525 C 0 0 0 0 0 12.0213 24.2921 36.4637 C 0 0 0 0 0 10.7992 23.6327 36.1899 C 0 0 0 0 0 9.5671 24.2601 36.1203 C 0 0 0 0 0 9.2687 25.7222 36.2044 C 0 0 0 0 0 8.6009 23.2132 35.8725 C 0 0 0 0 0 7.1329 23.4178 35.7054 C 0 0 0 0 0 6.8490 24.0395 34.3256 C 0 0 0 0 0 5.3911 24.1950 34.0319 C 0 0 0 0 0 4.5247 23.5254 34.6183 O 0 0 0 0 0 5.0644 25.0694 33.2219 O 0 0 0 0 0 3.9666 17.0644 37.7614 H 0 0 0 0 0 7.2796 17.5668 37.6334 H 0 0 0 0 0 7.0052 19.3457 37.2540 H 0 0 0 0 0 6.8800 18.7527 34.8474 H 0 0 0 0 0 7.1556 17.0385 35.2457 H 0 0 0 0 0 10.7598 15.3905 35.5429 H 0 0 0 0 0 9.1916 15.5568 34.6823 H 0 0 0 0 0 9.2290 15.4921 36.4775 H 0 0 0 0 0 7.8168 20.7340 35.6085 H 0 0 0 0 0 12.3930 16.6522 35.8598 H 0 0 0 0 0 16.1893 16.0664 35.4437 H 0 0 0 0 0 14.6871 15.7341 34.5170 H 0 0 0 0 0 14.6659 15.6765 36.3119 H 0 0 0 0 0 17.5363 19.6004 34.7001 H 0 0 0 0 0 17.4549 17.8171 34.5003 H 0 0 0 0 0 17.6868 18.5279 36.1335 H 0 0 0 0 0 16.6157 21.2386 35.2650 H 0 0 0 0 0 17.0861 24.9027 35.5002 H 0 0 0 0 0 17.4522 23.1592 35.2644 H 0 0 0 0 0 17.4208 23.8555 36.9201 H 0 0 0 0 0 15.1526 26.0919 37.5906 H 0 0 0 0 0 13.6010 26.4147 36.7446 H 0 0 0 0 0 15.1477 26.4597 35.8330 H 0 0 0 0 0 11.9760 25.2963 36.8585 H 0 0 0 0 0 9.6971 26.1306 37.1319 H 0 0 0 0 0 8.1788 25.8743 36.2045 H 0 0 0 0 0 9.7109 26.2374 35.3391 H 0 0 0 0 0 6.7671 24.0941 36.4923 H 0 0 0 0 0 6.6179 22.4484 35.7821 H 0 0 0 0 0 7.2631 23.3572 33.5688 H 0 0 0 0 0 7.3127 25.0366 34.2968 H 0 0 0 0 0 3.6618 23.8062 34.3358 H 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 42 1 0 0 0 4 5 1 0 0 0 4 43 1 0 0 0 4 44 1 0 0 0 5 6 1 0 0 0 5 45 1 0 0 0 5 46 1 0 0 0 6 7 2 0 0 0 6 9 1 0 0 0 7 8 1 0 0 0 7 12 1 0 0 0 8 47 1 0 0 0 8 48 1 0 0 0 8 49 1 0 0 0 9 10 1 0 0 0 9 11 2 0 0 0 10 21 2 0 0 0 10 50 1 0 0 0 11 12 1 0 0 0 11 19 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 13 51 1 0 0 0 14 15 2 0 0 0 14 22 1 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 52 1 0 0 0 16 53 1 0 0 0 16 54 1 0 0 0 17 18 1 0 0 0 17 23 2 0 0 0 18 55 1 0 0 0 18 56 1 0 0 0 18 57 1 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 19 30 1 0 0 0 20 21 1 0 0 0 20 33 1 0 0 0 21 36 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 24 58 1 0 0 0 25 26 1 0 0 0 25 30 1 0 0 0 26 27 1 0 0 0 26 28 2 0 0 0 27 59 1 0 0 0 27 60 1 0 0 0 27 61 1 0 0 0 28 29 1 0 0 0 28 31 1 0 0 0 29 62 1 0 0 0 29 63 1 0 0 0 29 64 1 0 0 0 30 31 2 0 0 0 31 32 1 0 0 0 32 33 2 0 0 0 32 65 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 35 66 1 0 0 0 35 67 1 0 0 0 35 68 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 69 1 0 0 0 37 70 1 0 0 0 38 39 1 0 0 0 38 71 1 0 0 0 38 72 1 0 0 0 39 40 1 0 0 0 39 41 2 0 0 0 40 73 1 0 0 0 M END $$$$