9LQ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 54 57 0 0 0 0 0 0 0 0999 V2000 -3.6715 1.5291 -0.0494 C 0 0 0 0 0 -4.6401 2.4479 -0.4497 C 0 0 0 0 0 -5.9194 2.0571 -0.6991 C 0 0 0 0 0 -6.2719 0.7058 -0.5513 C 0 0 0 0 0 -5.2843 -0.2296 -0.1443 C 0 0 0 0 0 -5.6621 -1.5766 -0.0027 C 0 0 0 0 0 -3.9757 0.2100 0.1049 C 0 0 0 0 0 -7.8560 -1.0291 -0.6423 N 0 0 0 0 0 -2.9193 -1.1327 2.0067 O 0 0 0 0 0 2.5567 2.1197 1.2787 O 0 0 0 0 0 -2.7591 -1.9954 -0.3331 O 0 0 0 0 0 -2.7364 -0.9340 0.6113 S 0 0 0 0 0 -6.9540 -1.9236 -0.2631 C 0 0 0 0 0 -7.5752 0.2437 -0.7945 C 0 0 0 0 0 -1.2718 -0.1816 0.4340 N 0 0 0 0 0 -0.6400 0.5413 1.5886 C 0 0 0 0 0 0.5521 -0.2250 1.9710 C 0 0 0 0 0 1.5277 -0.3993 0.8975 N 0 0 0 0 0 1.1980 -1.6462 0.2568 C 0 0 0 0 0 0.3981 -1.3868 -1.0439 C 0 0 0 0 0 -0.5823 -0.2143 -0.8250 C 0 0 0 0 0 2.8971 -0.4268 1.4288 C 0 0 0 0 0 3.8806 -0.3600 0.2884 C 0 0 0 0 0 4.1750 0.8646 -0.3081 C 0 0 0 0 0 3.4838 2.1782 0.2048 B 0 0 0 0 0 3.7859 3.4246 -0.4058 O 0 0 0 0 0 5.0853 0.9200 -1.3629 C 0 0 0 0 0 5.6896 -0.2373 -1.8097 C 0 0 0 0 0 5.3936 -1.4509 -1.2126 C 0 0 0 0 0 4.4955 -1.5098 -0.1627 C 0 0 0 0 0 -2.6627 1.8665 0.1383 H 0 0 0 0 0 -4.3708 3.4882 -0.5625 H 0 0 0 0 0 -6.6592 2.7806 -1.0087 H 0 0 0 0 0 -4.9432 -2.3215 0.3048 H 0 0 0 0 0 2.1844 2.9775 1.5246 H 0 0 0 0 0 -7.2508 -2.9567 -0.1576 H 0 0 0 0 0 -8.3451 0.9343 -1.1056 H 0 0 0 0 0 -0.3543 1.5489 1.2861 H 0 0 0 0 0 -1.3374 0.5877 2.4256 H 0 0 0 0 0 1.0400 0.2856 2.8018 H 0 0 0 0 0 0.2353 -1.2107 2.3106 H 0 0 0 0 0 2.1157 -2.1826 0.0153 H 0 0 0 0 0 0.5948 -2.2513 0.9337 H 0 0 0 0 0 1.0867 -1.1386 -1.8511 H 0 0 0 0 0 -0.1630 -2.2834 -1.3099 H 0 0 0 0 0 -1.3291 -0.2439 -1.6182 H 0 0 0 0 0 -0.0253 0.7177 -0.9270 H 0 0 0 0 0 3.0481 0.4277 2.0892 H 0 0 0 0 0 3.0510 -1.3494 1.9877 H 0 0 0 0 0 3.3120 4.1745 -0.0219 H 0 0 0 0 0 5.3170 1.8660 -1.8288 H 0 0 0 0 0 6.3950 -0.1961 -2.6265 H 0 0 0 0 0 5.8693 -2.3537 -1.5657 H 0 0 0 0 0 4.2710 -2.4584 0.3024 H 0 0 0 0 0 20 21 1 0 0 0 20 19 1 0 0 0 21 15 1 0 0 0 19 18 1 0 0 0 11 12 2 0 0 0 15 12 1 0 0 0 15 16 1 0 0 0 18 22 1 0 0 0 18 17 1 0 0 0 10 25 1 0 0 0 22 23 1 0 0 0 12 7 1 0 0 0 12 9 2 0 0 0 26 25 1 0 0 0 25 24 1 0 0 0 16 17 1 0 0 0 1 7 2 0 0 0 1 2 1 0 0 0 7 5 1 0 0 0 2 3 2 0 0 0 5 6 2 0 0 0 5 4 1 0 0 0 3 4 1 0 0 0 6 13 1 0 0 0 4 14 2 0 0 0 23 24 2 0 0 0 23 30 1 0 0 0 13 8 2 0 0 0 24 27 1 0 0 0 14 8 1 0 0 0 30 29 2 0 0 0 27 28 2 0 0 0 29 28 1 0 0 0 1 31 1 0 0 0 2 32 1 0 0 0 3 33 1 0 0 0 6 34 1 0 0 0 10 35 1 0 0 0 13 36 1 0 0 0 14 37 1 0 0 0 16 38 1 0 0 0 16 39 1 0 0 0 17 40 1 0 0 0 17 41 1 0 0 0 19 42 1 0 0 0 19 43 1 0 0 0 20 44 1 0 0 0 20 45 1 0 0 0 21 46 1 0 0 0 21 47 1 0 0 0 22 48 1 0 0 0 22 49 1 0 0 0 26 50 1 0 0 0 27 51 1 0 0 0 28 52 1 0 0 0 29 53 1 0 0 0 30 54 1 0 0 0 M END $$$$