9YA Converted by convert_cif2sdf.py 2024/03/29 11:09:15 66 71 0 0 0 0 0 0 0 0999 V2000 3.5212 1.0066 0.8499 C 0 0 0 0 0 2.1783 1.2123 0.5539 C 0 0 0 0 0 1.2048 0.8726 1.4896 C 0 0 0 0 0 3.8865 0.4614 2.0804 C 0 0 0 0 0 2.9172 0.1315 3.0069 C 0 0 0 0 0 -3.8009 0.1250 1.0873 C 0 0 0 0 0 -4.1451 -0.5189 -0.2564 C 0 0 0 0 0 -0.2301 1.0885 1.1802 C 0 0 0 0 0 -5.5739 -1.0281 -0.4510 C 0 0 0 0 0 -4.4237 -2.0224 -0.2692 C 0 0 0 0 0 -0.2016 -4.0553 -0.9488 C 0 0 0 0 0 -1.4967 -3.9448 -0.4766 C 0 0 0 0 0 -1.7983 -3.0155 0.5020 C 0 0 0 0 0 -0.8062 -2.1964 1.0074 C 0 0 0 0 0 -1.1372 -1.1800 2.0687 C 0 0 0 0 0 -1.2779 0.1801 1.4359 C 0 0 0 0 0 -2.4286 0.7446 1.0120 C 0 0 0 0 0 1.5815 0.3288 2.7166 C 0 0 0 0 0 4.5642 1.3605 -0.1446 C 0 0 0 0 0 5.9107 1.1500 0.1481 C 0 0 0 0 0 6.8766 1.4809 -0.7805 C 0 0 0 0 0 6.5101 2.0217 -2.0003 C 0 0 0 0 0 5.1758 2.2327 -2.2956 C 0 0 0 0 0 4.2009 1.8993 -1.3766 C 0 0 0 0 0 -3.0395 2.8758 -0.0367 C 0 0 0 0 0 -3.7637 4.7538 -0.9895 C 0 0 0 0 0 -4.9689 4.1504 -0.8984 C 0 0 0 0 0 -3.5917 6.0951 -1.5680 C 0 0 0 0 0 0.4881 -2.3075 0.5352 C 0 0 0 0 0 0.7916 -3.2394 -0.4386 C 0 0 0 0 0 -0.0264 -4.4950 -3.6596 N 0 0 0 0 0 -2.1303 1.9697 0.5035 N 0 0 0 0 0 -0.7488 2.1644 0.6264 N 0 0 0 0 0 -2.7391 4.0399 -0.5176 N 0 0 0 0 0 1.5735 -5.5091 -2.0767 O 0 0 0 0 0 -0.8137 -6.2485 -2.1116 O 0 0 0 0 0 -2.3649 6.6478 -1.6359 O 0 0 0 0 0 -4.5578 6.7051 -1.9843 O 0 0 0 0 0 0.1840 -5.2392 -2.1950 S 0 0 0 0 0 -4.7731 2.6108 -0.1816 S 0 0 0 0 0 1.8915 1.6343 -0.3981 H 0 0 0 0 0 4.9285 0.2971 2.3091 H 0 0 0 0 0 3.2039 -0.2905 3.9589 H 0 0 0 0 0 -4.5354 0.8968 1.3195 H 0 0 0 0 0 -3.8138 -0.6347 1.8681 H 0 0 0 0 0 -3.6409 -0.0930 -1.1243 H 0 0 0 0 0 -6.2696 -0.9062 0.3803 H 0 0 0 0 0 -6.0100 -0.9395 -1.4453 H 0 0 0 0 0 -4.1039 -2.5861 -1.1453 H 0 0 0 0 0 -4.3628 -2.5536 0.6813 H 0 0 0 0 0 -2.2710 -4.5845 -0.8714 H 0 0 0 0 0 -2.8099 -2.9296 0.8705 H 0 0 0 0 0 -2.0739 -1.4528 2.5550 H 0 0 0 0 0 -0.3384 -1.1547 2.8097 H 0 0 0 0 0 0.8266 0.0644 3.4434 H 0 0 0 0 0 6.1974 0.7279 1.1000 H 0 0 0 0 0 7.9194 1.3174 -0.5547 H 0 0 0 0 0 7.2690 2.2800 -2.7234 H 0 0 0 0 0 4.8948 2.6562 -3.2493 H 0 0 0 0 0 3.1590 2.0612 -1.6104 H 0 0 0 0 0 -5.9064 4.5737 -1.2281 H 0 0 0 0 0 1.2631 -1.6671 0.9300 H 0 0 0 0 0 1.8025 -3.3259 -0.8082 H 0 0 0 0 0 -0.3121 -3.5689 -3.6970 H 0 0 0 0 0 0.1377 -4.9849 -4.4804 H 0 0 0 0 0 -2.3020 7.5315 -2.0238 H 0 0 0 0 0 38 28 2 0 0 0 10 9 1 0 0 0 10 7 1 0 0 0 9 7 1 0 0 0 28 37 1 0 0 0 28 26 1 0 0 0 7 6 1 0 0 0 27 26 2 0 0 0 27 40 1 0 0 0 26 34 1 0 0 0 34 25 2 0 0 0 40 25 1 0 0 0 6 17 1 0 0 0 25 32 1 0 0 0 17 32 1 0 0 0 17 16 2 0 0 0 32 33 1 0 0 0 16 15 1 0 0 0 16 8 1 0 0 0 33 8 2 0 0 0 15 14 1 0 0 0 8 3 1 0 0 0 14 29 2 0 0 0 14 13 1 0 0 0 3 18 2 0 0 0 3 2 1 0 0 0 18 5 1 0 0 0 29 30 1 0 0 0 13 12 2 0 0 0 2 1 2 0 0 0 5 4 2 0 0 0 30 11 2 0 0 0 1 4 1 0 0 0 1 19 1 0 0 0 12 11 1 0 0 0 11 39 1 0 0 0 24 19 2 0 0 0 24 23 1 0 0 0 19 20 1 0 0 0 23 22 2 0 0 0 20 21 2 0 0 0 31 39 1 0 0 0 39 36 2 0 0 0 39 35 2 0 0 0 22 21 1 0 0 0 2 41 1 0 0 0 4 42 1 0 0 0 5 43 1 0 0 0 6 44 1 0 0 0 6 45 1 0 0 0 7 46 1 0 0 0 9 47 1 0 0 0 9 48 1 0 0 0 10 49 1 0 0 0 10 50 1 0 0 0 12 51 1 0 0 0 13 52 1 0 0 0 15 53 1 0 0 0 15 54 1 0 0 0 18 55 1 0 0 0 20 56 1 0 0 0 21 57 1 0 0 0 22 58 1 0 0 0 23 59 1 0 0 0 24 60 1 0 0 0 27 61 1 0 0 0 29 62 1 0 0 0 30 63 1 0 0 0 31 64 1 0 0 0 31 65 1 0 0 0 37 66 1 0 0 0 M END $$$$