J6K Converted by convert_cif2sdf.py 2024/03/29 11:09:15 64 67 0 0 0 0 0 0 0 0999 V2000 5.4427 -0.1944 1.4468 C 0 0 0 0 0 4.4126 1.2970 -0.0921 C 0 0 0 0 0 2.6728 0.4214 -1.5036 C 0 0 0 0 0 2.4994 1.6411 -2.0916 C 0 0 0 0 0 3.2848 2.7252 -1.6896 C 0 0 0 0 0 5.9098 4.1076 0.4189 C 0 0 0 0 0 4.2492 2.5500 -0.6817 C 0 0 0 0 0 1.8223 -0.7439 -1.9416 C 0 0 0 0 0 2.7260 -1.9158 -2.3292 C 0 0 0 0 0 1.8832 -3.0365 -2.8822 C 0 0 0 0 0 2.4661 -4.1750 -3.2909 O 0 0 0 0 0 1.4547 -1.7222 0.3332 C 0 0 0 0 0 -0.7403 -1.9154 1.2687 C 0 0 0 0 0 -1.6451 -2.3309 2.4007 C 0 0 0 0 0 -1.2764 -1.3457 0.1285 C 0 0 0 0 0 -2.7653 -1.1410 0.0174 C 0 0 0 0 0 -3.3911 0.2101 2.0721 C 0 0 0 0 0 -5.7556 2.5196 0.0256 C 0 0 0 0 0 -5.4570 1.0310 -1.8252 C 0 0 0 0 0 -0.4481 -0.9756 -0.9138 C 0 0 0 0 0 5.3371 1.1161 0.8874 O 0 0 0 0 0 3.6238 0.2411 -0.5078 C 0 0 0 0 0 3.3700 4.0221 -2.0508 N 0 0 0 0 0 4.2823 4.5987 -1.3499 N 0 0 0 0 0 4.8375 3.7810 -0.5238 N 0 0 0 0 0 0.6845 -2.9104 -2.9588 O 0 0 0 0 0 0.9185 -1.1585 -0.8095 C 0 0 0 0 0 0.6253 -2.1031 1.3706 C 0 0 0 0 0 -3.1293 0.1385 0.6333 N 0 0 0 0 0 -3.2435 1.5019 -0.2990 S 0 0 0 0 0 -2.9165 2.5954 0.5476 O 0 0 0 0 0 -2.5518 1.2219 -1.5084 O 0 0 0 0 0 -4.9407 1.6984 -0.7310 C 0 0 0 0 0 -7.0879 2.6694 -0.3102 C 0 0 0 0 0 -7.6061 1.9967 -1.4018 C 0 0 0 0 0 -6.7902 1.1754 -2.1574 C 0 0 0 0 0 4.4871 -0.4778 1.8896 H 0 0 0 0 0 5.7036 -0.9049 0.6620 H 0 0 0 0 0 6.2151 -0.2011 2.2151 H 0 0 0 0 0 1.7569 1.7685 -2.8649 H 0 0 0 0 0 6.8756 3.9443 -0.0590 H 0 0 0 0 0 5.8240 5.1516 0.7192 H 0 0 0 0 0 5.8273 3.4684 1.2981 H 0 0 0 0 0 1.2183 -0.4502 -2.8004 H 0 0 0 0 0 3.4395 -1.5900 -3.0857 H 0 0 0 0 0 3.2636 -2.2663 -1.4490 H 0 0 0 0 0 1.8842 -4.8656 -3.6383 H 0 0 0 0 0 2.5215 -1.8694 0.4129 H 0 0 0 0 0 -1.8764 -3.3916 2.3099 H 0 0 0 0 0 -1.1447 -2.1473 3.3511 H 0 0 0 0 0 -2.5679 -1.7527 2.3584 H 0 0 0 0 0 -3.0535 -1.1331 -1.0336 H 0 0 0 0 0 -3.2835 -1.9508 0.5307 H 0 0 0 0 0 -2.4515 0.3478 2.6065 H 0 0 0 0 0 -4.0538 1.0513 2.2789 H 0 0 0 0 0 -3.8645 -0.7141 2.4020 H 0 0 0 0 0 -5.3521 3.0414 0.8812 H 0 0 0 0 0 -4.8195 0.3891 -2.4164 H 0 0 0 0 0 -0.8671 -0.5388 -1.8083 H 0 0 0 0 0 3.7472 -0.7307 -0.0534 H 0 0 0 0 0 1.0441 -2.5485 2.2614 H 0 0 0 0 0 -7.7255 3.3113 0.2800 H 0 0 0 0 0 -8.6471 2.1127 -1.6635 H 0 0 0 0 0 -7.1956 0.6494 -3.0103 H 0 0 0 0 0 1 21 1 0 0 0 26 10 2 0 0 0 21 2 1 0 0 0 6 25 1 0 0 0 11 10 1 0 0 0 10 9 1 0 0 0 2 22 2 0 0 0 2 7 1 0 0 0 25 7 1 0 0 0 25 24 1 0 0 0 22 3 1 0 0 0 7 5 2 0 0 0 24 23 2 0 0 0 9 8 1 0 0 0 5 23 1 0 0 0 5 4 1 0 0 0 3 4 2 0 0 0 3 8 1 0 0 0 8 27 1 0 0 0 27 20 2 0 0 0 27 12 1 0 0 0 20 15 1 0 0 0 12 28 2 0 0 0 15 16 1 0 0 0 15 13 2 0 0 0 35 34 2 0 0 0 35 36 1 0 0 0 28 13 1 0 0 0 17 29 1 0 0 0 34 18 1 0 0 0 16 29 1 0 0 0 36 19 2 0 0 0 13 14 1 0 0 0 18 33 2 0 0 0 29 30 1 0 0 0 19 33 1 0 0 0 33 30 1 0 0 0 30 31 2 0 0 0 30 32 2 0 0 0 1 37 1 0 0 0 1 38 1 0 0 0 1 39 1 0 0 0 4 40 1 0 0 0 6 41 1 0 0 0 6 42 1 0 0 0 6 43 1 0 0 0 8 44 1 0 0 0 9 45 1 0 0 0 9 46 1 0 0 0 11 47 1 0 0 0 12 48 1 0 0 0 14 49 1 0 0 0 14 50 1 0 0 0 14 51 1 0 0 0 16 52 1 0 0 0 16 53 1 0 0 0 17 54 1 0 0 0 17 55 1 0 0 0 17 56 1 0 0 0 18 57 1 0 0 0 19 58 1 0 0 0 20 59 1 0 0 0 22 60 1 0 0 0 28 61 1 0 0 0 34 62 1 0 0 0 35 63 1 0 0 0 36 64 1 0 0 0 M END $$$$