C3S Converted by convert_cif2sdf.py 2024/03/29 11:09:15 78 81 0 0 0 0 0 0 0 0999 V2000 -9.2665 0.3653 1.7563 C 0 0 0 0 0 -7.9165 -0.2099 2.1899 C 0 0 0 0 0 -7.8833 -1.7102 1.8924 C 0 0 0 0 0 -6.7942 0.4876 1.4213 C 0 0 0 0 0 -5.4442 -0.0875 1.8539 C 0 0 0 0 0 -4.3209 0.6099 1.0853 C 0 0 0 0 0 -2.9719 0.0348 1.5189 C 0 0 0 0 0 -2.9378 -1.4655 1.2204 C 0 0 0 0 0 -1.8487 0.7323 0.7493 C 0 0 0 0 0 -1.8234 2.2429 1.0900 C 0 0 0 0 0 -0.4908 0.1938 1.1911 C 0 0 0 0 0 0.1115 -0.9617 0.3921 C 0 0 0 0 0 -0.5282 -0.1644 2.6764 C 0 0 0 0 0 0.4459 1.4221 1.0333 C 0 0 0 0 0 -0.4028 2.5431 1.6417 C 0 0 0 0 0 1.7446 1.1131 1.7537 C 0 0 0 0 0 2.6822 2.3223 1.6624 C 0 0 0 0 0 2.3974 -0.0793 1.0415 C 0 0 0 0 0 1.4852 -1.3015 0.9912 C 0 0 0 0 0 3.7107 -0.4461 1.7100 C 0 0 0 0 0 3.3632 -1.3599 2.8880 C 0 0 0 0 0 4.4724 0.7310 2.2413 C 0 0 0 0 0 5.8490 0.4774 2.8323 C 0 0 0 0 0 4.0231 1.9513 2.2266 C 0 0 0 0 0 4.6007 -1.2333 0.7450 C 0 0 0 0 0 5.9102 -1.5989 1.4456 C 0 0 0 0 0 6.6695 -0.3247 1.8200 C 0 0 0 0 0 7.9289 -0.6733 2.3962 O 0 0 0 0 0 8.9879 -0.4024 1.3379 S 0 0 0 0 0 9.1156 1.1074 1.1981 O 0 0 0 0 0 10.2172 -0.8439 1.8971 O 0 0 0 0 0 8.4330 -0.8572 0.1119 O 0 0 0 0 0 -10.0669 -0.1311 2.3045 H 0 0 0 0 0 -9.2904 1.4338 1.9689 H 0 0 0 0 0 -9.4043 0.2045 0.6879 H 0 0 0 0 0 -7.7796 -0.0481 3.2593 H 0 0 0 0 0 -8.0202 -1.8720 0.8239 H 0 0 0 0 0 -6.9212 -2.1206 2.2011 H 0 0 0 0 0 -8.6828 -2.2075 2.4405 H 0 0 0 0 0 -6.9310 0.3258 0.3519 H 0 0 0 0 0 -6.8181 1.5561 1.6329 H 0 0 0 0 0 -5.3064 0.0742 2.9233 H 0 0 0 0 0 -5.4203 -1.1560 1.6413 H 0 0 0 0 0 -4.4588 0.4482 0.0159 H 0 0 0 0 0 -4.3448 1.6785 1.2969 H 0 0 0 0 0 -2.8341 0.1956 2.5873 H 0 0 0 0 0 -3.0746 -1.6273 0.1519 H 0 0 0 0 0 -1.9766 -1.8759 1.5291 H 0 0 0 0 0 -3.7382 -1.9628 1.7685 H 0 0 0 0 0 -1.9801 0.5885 -0.3236 H 0 0 0 0 0 -2.0063 2.8323 0.1910 H 0 0 0 0 0 -2.5744 2.4684 1.8454 H 0 0 0 0 0 0.2279 -0.6210 -0.6358 H 0 0 0 0 0 -0.5338 -1.8401 0.4223 H 0 0 0 0 0 0.4696 -0.4581 3.0038 H 0 0 0 0 0 -0.8595 0.7001 3.2513 H 0 0 0 0 0 -1.2200 -0.9918 2.8335 H 0 0 0 0 0 0.6362 1.6219 -0.0212 H 0 0 0 0 0 -0.0553 3.5191 1.3031 H 0 0 0 0 0 -0.3937 2.4869 2.7304 H 0 0 0 0 0 1.5494 0.8667 2.7968 H 0 0 0 0 0 2.7955 2.6175 0.6201 H 0 0 0 0 0 2.2630 3.1508 2.2333 H 0 0 0 0 0 2.6093 0.2331 0.0185 H 0 0 0 0 0 1.9566 -2.0720 0.3820 H 0 0 0 0 0 1.3479 -1.6833 2.0018 H 0 0 0 0 0 4.2637 -1.5606 3.4687 H 0 0 0 0 0 2.6237 -0.8706 3.5208 H 0 0 0 0 0 2.9573 -2.2986 2.5115 H 0 0 0 0 0 6.3426 1.4288 3.0338 H 0 0 0 0 0 5.7513 -0.0886 3.7588 H 0 0 0 0 0 4.6417 2.7339 2.6406 H 0 0 0 0 0 4.0867 -2.1427 0.4358 H 0 0 0 0 0 4.8156 -0.6214 -0.1312 H 0 0 0 0 0 6.5230 -2.2024 0.7764 H 0 0 0 0 0 5.6913 -2.1695 2.3482 H 0 0 0 0 0 6.8330 0.2758 0.9265 H 0 0 0 0 0 9.7893 1.2693 0.5244 H 0 0 0 0 0 1 2 1 0 0 0 1 33 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 2 36 1 0 0 0 3 37 1 0 0 0 3 38 1 0 0 0 3 39 1 0 0 0 4 5 1 0 0 0 4 40 1 0 0 0 4 41 1 0 0 0 5 6 1 0 0 0 5 42 1 0 0 0 5 43 1 0 0 0 6 7 1 0 0 0 6 44 1 0 0 0 6 45 1 0 0 0 7 8 1 0 0 0 7 9 1 0 0 0 7 46 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 1 0 0 0 9 50 1 0 0 0 10 15 1 0 0 0 10 51 1 0 0 0 10 52 1 0 0 0 11 12 1 0 0 0 11 13 1 0 0 0 11 14 1 0 0 0 12 19 1 0 0 0 12 53 1 0 0 0 12 54 1 0 0 0 13 55 1 0 0 0 13 56 1 0 0 0 13 57 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 14 58 1 0 0 0 15 59 1 0 0 0 15 60 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 16 61 1 0 0 0 17 24 1 0 0 0 17 62 1 0 0 0 17 63 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 18 64 1 0 0 0 19 65 1 0 0 0 19 66 1 0 0 0 20 21 1 0 0 0 20 22 1 0 0 0 20 25 1 0 0 0 21 67 1 0 0 0 21 68 1 0 0 0 21 69 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 23 27 1 0 0 0 23 70 1 0 0 0 23 71 1 0 0 0 24 72 1 0 0 0 25 26 1 0 0 0 25 73 1 0 0 0 25 74 1 0 0 0 26 27 1 0 0 0 26 75 1 0 0 0 26 76 1 0 0 0 27 28 1 0 0 0 27 77 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 29 31 2 0 0 0 29 32 2 0 0 0 30 78 1 0 0 0 M END $$$$