CBD Converted by convert_cif2sdf.py 2024/03/29 11:09:15 71 76 0 0 0 0 0 0 0 0999 V2000 4.2068 -1.5090 2.4434 C 0 0 0 0 0 3.7364 -2.5560 3.7800 S 0 0 0 0 0 2.4565 -2.0986 4.1962 O 0 0 0 0 0 4.0408 -3.8789 3.3608 O 0 0 0 0 0 4.6775 -2.2628 4.9408 O 0 0 0 0 0 5.2481 -1.8977 1.5937 C 0 0 0 0 0 5.9059 -3.0989 1.8039 N 0 0 0 0 0 5.6264 -1.0666 0.5367 C 0 0 0 0 0 6.7152 -1.4573 -0.3740 C 0 0 0 0 0 7.1396 -2.5966 -0.3742 O 0 0 0 0 0 7.2892 -0.4442 -1.2866 C 0 0 0 0 0 8.4894 -0.6854 -1.9481 C 0 0 0 0 0 9.0128 0.2739 -2.7953 C 0 0 0 0 0 8.3512 1.4732 -2.9905 C 0 0 0 0 0 7.1563 1.7285 -2.3416 C 0 0 0 0 0 6.6158 0.7745 -1.4863 C 0 0 0 0 0 5.3394 1.0293 -0.7836 C 0 0 0 0 0 4.6237 1.9525 -1.1241 O 0 0 0 0 0 4.9463 0.1531 0.3316 C 0 0 0 0 0 3.9083 0.5183 1.1938 C 0 0 0 0 0 3.5524 -0.3292 2.2476 C 0 0 0 0 0 3.2353 1.7146 1.0064 N 0 0 0 0 0 -0.1879 3.0255 1.2894 C 0 0 0 0 0 -1.0164 4.5774 1.3729 S 0 0 0 0 0 -0.0738 5.5426 0.9268 O 0 0 0 0 0 -2.3005 4.3591 0.8068 O 0 0 0 0 0 -1.2583 4.8856 2.8431 O 0 0 0 0 0 -0.9170 1.8445 1.3325 C 0 0 0 0 0 -0.2638 0.6211 1.2681 C 0 0 0 0 0 1.1116 0.5779 1.1594 C 0 0 0 0 0 1.8418 1.7588 1.1153 C 0 0 0 0 0 1.1884 2.9825 1.1857 C 0 0 0 0 0 -2.3126 1.8878 1.4424 N 0 0 0 0 0 -2.5215 0.1673 -0.1417 N 0 0 0 0 0 -3.2646 -0.6904 -0.8208 C 0 0 0 0 0 -2.5210 -1.7664 -1.9619 CL 0 0 0 0 0 -4.5736 -0.7305 -0.6314 N 0 0 0 0 0 -5.1465 0.0927 0.2434 C 0 0 0 0 0 -4.4027 0.9517 0.9294 N 0 0 0 0 0 -3.0884 0.9932 0.7342 C 0 0 0 0 0 -6.5131 0.0491 0.4398 N 0 0 0 0 0 -8.6122 -0.6665 -0.5135 C 0 0 0 0 0 -9.3306 0.8861 -0.0959 S 0 0 0 0 0 -8.2512 1.8080 -0.0399 O 0 0 0 0 0 -10.4797 1.0141 -0.9215 O 0 0 0 0 0 -9.8556 0.7777 1.3273 O 0 0 0 0 0 -7.2825 -0.9236 -0.2056 C 0 0 0 0 0 -6.7203 -2.1491 -0.5371 C 0 0 0 0 0 -7.4823 -3.1077 -1.1749 C 0 0 0 0 0 -8.8047 -2.8462 -1.4858 C 0 0 0 0 0 -9.3681 -1.6268 -1.1580 C 0 0 0 0 0 4.4113 -2.8415 5.6687 H 0 0 0 0 0 6.2528 -3.6003 1.0488 H 0 0 0 0 0 6.0226 -3.4368 2.7053 H 0 0 0 0 0 9.0102 -1.6200 -1.7999 H 0 0 0 0 0 9.9448 0.0855 -3.3080 H 0 0 0 0 0 8.7704 2.2137 -3.6546 H 0 0 0 0 0 6.6451 2.6670 -2.4996 H 0 0 0 0 0 2.7509 -0.0459 2.9143 H 0 0 0 0 0 3.7317 2.5227 0.7984 H 0 0 0 0 0 -1.7139 5.7376 2.8788 H 0 0 0 0 0 -0.8307 -0.2963 1.3022 H 0 0 0 0 0 1.6190 -0.3731 1.1084 H 0 0 0 0 0 1.7562 3.8999 1.1527 H 0 0 0 0 0 -2.7329 2.5476 2.0170 H 0 0 0 0 0 -6.9388 0.6918 1.0271 H 0 0 0 0 0 -10.2477 1.6337 1.5477 H 0 0 0 0 0 -5.6878 -2.3537 -0.2950 H 0 0 0 0 0 -7.0455 -4.0605 -1.4330 H 0 0 0 0 0 -9.3995 -3.5974 -1.9858 H 0 0 0 0 0 -10.4007 -1.4264 -1.4028 H 0 0 0 0 0 1 2 1 0 0 0 1 6 2 0 0 0 1 21 1 0 0 0 2 3 2 0 0 0 2 4 2 0 0 0 2 5 1 0 0 0 5 52 1 0 0 0 6 7 1 0 0 0 6 8 1 0 0 0 7 53 1 0 0 0 7 54 1 0 0 0 8 9 1 0 0 0 8 19 2 0 0 0 9 10 2 0 0 0 9 11 1 0 0 0 11 12 2 0 0 0 11 16 1 0 0 0 12 13 1 0 0 0 12 55 1 0 0 0 13 14 2 0 0 0 13 56 1 0 0 0 14 15 1 0 0 0 14 57 1 0 0 0 15 16 2 0 0 0 15 58 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 17 19 1 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 20 22 1 0 0 0 21 59 1 0 0 0 22 31 1 0 0 0 22 60 1 0 0 0 23 24 1 0 0 0 23 28 2 0 0 0 23 32 1 0 0 0 24 25 2 0 0 0 24 26 2 0 0 0 24 27 1 0 0 0 27 61 1 0 0 0 28 29 1 0 0 0 28 33 1 0 0 0 29 30 2 0 0 0 29 62 1 0 0 0 30 31 1 0 0 0 30 63 1 0 0 0 31 32 2 0 0 0 32 64 1 0 0 0 33 40 1 0 0 0 33 65 1 0 0 0 34 35 2 0 0 0 34 40 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 37 38 2 0 0 0 38 39 1 0 0 0 38 41 1 0 0 0 39 40 2 0 0 0 41 47 1 0 0 0 41 66 1 0 0 0 42 43 1 0 0 0 42 47 2 0 0 0 42 51 1 0 0 0 43 44 2 0 0 0 43 45 2 0 0 0 43 46 1 0 0 0 46 67 1 0 0 0 47 48 1 0 0 0 48 49 2 0 0 0 48 68 1 0 0 0 49 50 1 0 0 0 49 69 1 0 0 0 50 51 2 0 0 0 50 70 1 0 0 0 51 71 1 0 0 0 M END $$$$