J2I Converted by convert_cif2sdf.py 2024/03/29 11:09:15 59 63 0 0 0 0 0 0 0 0999 V2000 6.9404 -3.2470 -0.0579 C 0 0 0 0 0 6.9070 -1.8542 0.0074 C 0 0 0 0 0 -6.6457 0.1956 -1.5279 C 0 0 0 0 0 -6.5333 -0.1533 0.8460 C 0 0 0 0 0 3.6273 2.3406 -0.0501 C 0 0 0 0 0 5.6587 -3.6981 -0.0122 C 0 0 0 0 0 -4.5293 0.2658 -0.4026 C 0 0 0 0 0 -7.2772 -0.0650 -0.3207 C 0 0 0 0 0 -5.2723 0.3610 -1.5673 C 0 0 0 0 0 -5.1598 0.0181 0.8046 C 0 0 0 0 0 5.5756 -1.4896 0.0924 C 0 0 0 0 0 3.3723 3.7137 0.0031 C 0 0 0 0 0 4.9587 2.1554 0.1665 C 0 0 0 0 0 4.9076 -0.2469 0.1833 C 0 0 0 0 0 2.8682 -1.3524 0.2386 C 0 0 0 0 0 -2.3676 -0.8819 -0.6604 C 0 0 0 0 0 0.6542 -2.4733 0.1874 C 0 0 0 0 0 0.8249 0.0275 0.5257 C 0 0 0 0 0 -0.3615 -2.2559 -0.9416 C 0 0 0 0 0 -0.1967 0.2468 -0.6065 C 0 0 0 0 0 2.0253 4.3669 -0.1778 C 0 0 0 0 0 -9.2093 -0.4970 0.9952 C 0 0 0 0 0 -3.0337 0.4526 -0.4461 C 0 0 0 0 0 5.5176 3.3807 0.3450 N 0 0 0 0 0 3.5877 -0.2262 0.2529 N 0 0 0 0 0 3.4295 -2.5365 0.1645 N 0 0 0 0 0 4.4986 4.3358 0.2371 N 0 0 0 0 0 4.8250 -2.6469 0.0851 N 0 0 0 0 0 1.4848 -1.2679 0.3153 N 0 0 0 0 0 -1.0244 -0.9605 -0.7334 N 0 0 0 0 0 5.6258 0.9324 0.2006 N 0 0 0 0 0 -3.0405 -1.8857 -0.7669 O 0 0 0 0 0 -8.6256 -0.2324 -0.2815 O 0 0 0 0 0 -4.6558 0.6146 -2.7429 F 0 0 0 0 0 -4.4339 -0.0741 1.9398 F 0 0 0 0 0 7.8271 -3.8590 -0.1354 H 0 0 0 0 0 7.7579 -1.1885 -0.0064 H 0 0 0 0 0 -7.2246 0.2648 -2.4374 H 0 0 0 0 0 -7.0235 -0.3549 1.7866 H 0 0 0 0 0 2.8979 1.5647 -0.2279 H 0 0 0 0 0 5.3569 -4.7350 -0.0481 H 0 0 0 0 0 0.1260 -2.6560 1.1228 H 0 0 0 0 0 1.2856 -3.3298 -0.0499 H 0 0 0 0 0 1.5664 0.8259 0.5089 H 0 0 0 0 0 0.3104 0.0258 1.4870 H 0 0 0 0 0 0.1549 -2.2522 -1.9019 H 0 0 0 0 0 -1.1039 -3.0533 -0.9258 H 0 0 0 0 0 -0.8301 1.1003 -0.3673 H 0 0 0 0 0 0.3295 0.4296 -1.5440 H 0 0 0 0 0 1.5304 4.4532 0.7893 H 0 0 0 0 0 2.1589 5.3593 -0.6085 H 0 0 0 0 0 1.4149 3.7595 -0.8458 H 0 0 0 0 0 -10.2880 -0.6102 0.8859 H 0 0 0 0 0 -8.7881 -1.4156 1.4045 H 0 0 0 0 0 -8.9980 0.3311 1.6711 H 0 0 0 0 0 -2.7759 1.1232 -1.2659 H 0 0 0 0 0 -2.6935 0.8816 0.4960 H 0 0 0 0 0 6.5952 0.9093 0.2361 H 0 0 0 0 0 6.4541 3.5613 0.5189 H 0 0 0 0 0 2 1 1 0 0 0 1 6 2 0 0 0 1 36 1 0 0 0 2 11 2 0 0 0 2 37 1 0 0 0 9 3 2 0 0 0 3 8 1 0 0 0 3 38 1 0 0 0 10 4 1 0 0 0 8 4 2 0 0 0 4 39 1 0 0 0 13 5 2 0 0 0 12 5 1 0 0 0 5 40 1 0 0 0 6 28 1 0 0 0 6 41 1 0 0 0 23 7 1 0 0 0 9 7 1 0 0 0 7 10 2 0 0 0 8 33 1 0 0 0 34 9 1 0 0 0 10 35 1 0 0 0 11 14 1 0 0 0 11 28 1 0 0 0 27 12 2 0 0 0 12 21 1 0 0 0 24 13 1 0 0 0 31 13 1 0 0 0 31 14 1 0 0 0 14 25 2 0 0 0 25 15 1 0 0 0 26 15 2 0 0 0 15 29 1 0 0 0 30 16 1 0 0 0 16 23 1 0 0 0 16 32 2 0 0 0 29 17 1 0 0 0 19 17 1 0 0 0 17 42 1 0 0 0 17 43 1 0 0 0 20 18 1 0 0 0 29 18 1 0 0 0 18 44 1 0 0 0 18 45 1 0 0 0 19 30 1 0 0 0 19 46 1 0 0 0 19 47 1 0 0 0 20 30 1 0 0 0 20 48 1 0 0 0 20 49 1 0 0 0 21 50 1 0 0 0 21 51 1 0 0 0 21 52 1 0 0 0 33 22 1 0 0 0 22 53 1 0 0 0 22 54 1 0 0 0 22 55 1 0 0 0 23 56 1 0 0 0 23 57 1 0 0 0 24 27 1 0 0 0 28 26 1 0 0 0 31 58 1 0 0 0 24 59 1 0 0 0 M END $$$$