J1B Converted by convert_cif2sdf.py 2024/03/29 11:09:15 81 86 0 0 0 0 0 0 0 0999 V2000 3.5480 -1.0364 0.6784 C 0 0 0 0 0 6.9677 -1.2423 -0.4166 N 0 0 0 0 0 4.5883 -1.0219 -0.3120 O 0 0 0 0 0 1.7870 0.1688 -1.0322 S 0 0 0 0 0 4.2312 -1.0563 2.0605 C 0 0 0 0 0 8.3466 -0.0668 -1.6339 N 0 0 0 0 0 3.8403 -2.2175 2.7947 O 0 0 0 0 0 5.7436 -1.1047 1.7350 C 0 0 0 0 0 11.2396 -0.9370 -2.2021 N 0 0 0 0 0 6.4259 -2.0005 2.6146 O 0 0 0 0 0 5.7463 -1.6470 0.2830 C 0 0 0 0 0 10.6752 -2.8046 -0.8764 N 0 0 0 0 0 7.1378 -0.1079 -1.1531 C 0 0 0 0 0 8.5864 -3.0759 0.0754 N 0 0 0 0 0 -5.7779 -3.1173 -2.5182 O 0 0 0 0 0 9.0282 -1.1668 -1.2334 C 0 0 0 0 0 -1.7121 3.0603 -1.1997 N 0 0 0 0 0 10.3324 -1.6493 -1.4374 C 0 0 0 0 0 9.8183 -3.4876 -0.1397 C 0 0 0 0 0 -9.3827 -3.1731 -0.8782 N 0 0 0 0 0 8.1530 -1.9337 -0.4468 C 0 0 0 0 0 -9.8316 -5.1873 -1.9318 N 0 0 0 0 0 2.6837 0.2194 0.5436 C 0 0 0 0 0 -7.7479 -4.1406 -2.2465 N 0 0 0 0 0 0.8352 1.7139 -1.0091 C 0 0 0 0 0 -6.4723 -1.0451 -0.8481 N 0 0 0 0 0 0.1068 1.8859 -2.3450 C 0 0 0 0 0 -8.9969 -1.1035 0.2101 N 0 0 0 0 0 -0.7423 3.1578 -2.2968 C 0 0 0 0 0 -1.0354 2.9421 0.0990 C 0 0 0 0 0 -0.1947 1.6627 0.1224 C 0 0 0 0 0 -2.6382 1.9408 -1.4135 C 0 0 0 0 0 -5.8121 0.9410 0.3539 C 0 0 0 0 0 -8.9818 -4.1460 -1.6740 C 0 0 0 0 0 -6.8835 -3.1307 -2.0034 C 0 0 0 0 0 -6.7401 -0.2203 0.1026 C 0 0 0 0 0 -7.9597 -0.3894 0.9711 C 0 0 0 0 0 -8.4861 0.9852 1.3875 C 0 0 0 0 0 -7.5927 -1.1969 2.2177 C 0 0 0 0 0 -8.5852 -2.1449 -0.6008 C 0 0 0 0 0 -7.2923 -2.0940 -1.1416 C 0 0 0 0 0 -3.7768 2.0186 -0.3950 C 0 0 0 0 0 -4.7039 0.8981 -0.6090 N 0 0 0 0 0 2.9323 -1.9272 0.5574 H 0 0 0 0 0 3.9877 -0.1522 2.6190 H 0 0 0 0 0 4.2410 -2.2811 3.6723 H 0 0 0 0 0 6.1830 -0.1088 1.7789 H 0 0 0 0 0 12.1372 -1.2802 -2.3346 H 0 0 0 0 0 10.9782 -0.0954 -2.6057 H 0 0 0 0 0 6.3749 -1.7505 3.5476 H 0 0 0 0 0 5.6430 -2.7323 0.2759 H 0 0 0 0 0 6.3811 0.6444 -1.3155 H 0 0 0 0 0 10.1378 -4.4218 0.2970 H 0 0 0 0 0 -10.7148 -5.2040 -1.5308 H 0 0 0 0 0 -9.5510 -5.9100 -2.5156 H 0 0 0 0 0 1.9705 0.2592 1.3672 H 0 0 0 0 0 3.3204 1.1034 0.5717 H 0 0 0 0 0 -7.4862 -4.8684 -2.8328 H 0 0 0 0 0 1.5105 2.5548 -0.8505 H 0 0 0 0 0 0.8367 1.9657 -3.1503 H 0 0 0 0 0 -0.5380 1.0247 -2.5216 H 0 0 0 0 0 -9.9324 -0.8534 0.2736 H 0 0 0 0 0 -1.2732 3.2765 -3.2412 H 0 0 0 0 0 -0.0952 4.0204 -2.1341 H 0 0 0 0 0 -0.3871 3.8051 0.2497 H 0 0 0 0 0 -1.7795 2.9025 0.8943 H 0 0 0 0 0 -0.8443 0.7983 -0.0154 H 0 0 0 0 0 0.3196 1.5834 1.0798 H 0 0 0 0 0 -3.0492 1.9967 -2.4217 H 0 0 0 0 0 -2.1042 0.9988 -1.2910 H 0 0 0 0 0 -6.3601 1.8757 0.2358 H 0 0 0 0 0 -5.4161 0.8779 1.3665 H 0 0 0 0 0 -9.3730 0.8620 2.0101 H 0 0 0 0 0 -7.7175 1.5134 1.9519 H 0 0 0 0 0 -8.7436 1.5607 0.4978 H 0 0 0 0 0 -7.2149 -2.1754 1.9186 H 0 0 0 0 0 -6.8241 -0.6677 2.7811 H 0 0 0 0 0 -8.4776 -1.3251 2.8411 H 0 0 0 0 0 -3.3668 1.9618 0.6131 H 0 0 0 0 0 -4.3108 2.9607 -0.5176 H 0 0 0 0 0 -4.2188 0.0143 -0.5645 H 0 0 0 0 0 1 3 1 0 0 0 1 5 1 0 0 0 1 23 1 0 0 0 2 11 1 0 0 0 2 13 1 0 0 0 2 21 1 0 0 0 3 11 1 0 0 0 4 23 1 0 0 0 4 25 1 0 0 0 5 7 1 0 0 0 5 8 1 0 0 0 6 13 2 0 0 0 6 16 1 0 0 0 8 10 1 0 0 0 8 11 1 0 0 0 9 18 1 0 0 0 12 18 2 0 0 0 12 19 1 0 0 0 14 19 2 0 0 0 14 21 1 0 0 0 15 35 2 0 0 0 16 18 1 0 0 0 16 21 2 0 0 0 17 29 1 0 0 0 17 30 1 0 0 0 17 32 1 0 0 0 20 34 2 0 0 0 20 40 1 0 0 0 22 34 1 0 0 0 24 34 1 0 0 0 24 35 1 0 0 0 25 27 1 0 0 0 25 31 1 0 0 0 26 36 2 0 0 0 26 41 1 0 0 0 27 29 1 0 0 0 28 37 1 0 0 0 28 40 1 0 0 0 30 31 1 0 0 0 32 42 1 0 0 0 33 36 1 0 0 0 33 43 1 0 0 0 35 41 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 40 41 2 0 0 0 42 43 1 0 0 0 1 44 1 0 0 0 5 45 1 0 0 0 7 46 1 0 0 0 8 47 1 0 0 0 9 48 1 0 0 0 9 49 1 0 0 0 10 50 1 0 0 0 11 51 1 0 0 0 13 52 1 0 0 0 19 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 58 1 0 0 0 25 59 1 0 0 0 27 60 1 0 0 0 27 61 1 0 0 0 28 62 1 0 0 0 29 63 1 0 0 0 29 64 1 0 0 0 30 65 1 0 0 0 30 66 1 0 0 0 31 67 1 0 0 0 31 68 1 0 0 0 32 69 1 0 0 0 32 70 1 0 0 0 33 71 1 0 0 0 33 72 1 0 0 0 38 73 1 0 0 0 38 74 1 0 0 0 38 75 1 0 0 0 39 76 1 0 0 0 39 77 1 0 0 0 39 78 1 0 0 0 42 79 1 0 0 0 42 80 1 0 0 0 43 81 1 0 0 0 M END $$$$