9JK Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 28 0 0 0 0 0 0 0 0999 V2000 1.6448 -0.6913 -0.1473 C 0 0 0 0 0 2.1460 0.5136 -0.6224 C 0 0 0 0 0 3.4983 0.7811 -0.5316 C 0 0 0 0 0 4.3521 -0.1495 0.0316 C 0 0 0 0 0 3.8563 -1.3498 0.5059 C 0 0 0 0 0 -2.4700 2.4164 0.2622 S 0 0 0 0 0 -3.0056 0.7495 0.0665 C 0 0 0 0 0 -4.3627 0.4465 0.0657 C 0 0 0 0 0 -4.7788 -0.8599 -0.0879 C 0 0 0 0 0 -3.8523 -1.8790 -0.2430 C 0 0 0 0 0 -2.5033 -1.5993 -0.2458 C 0 0 0 0 0 -2.0640 -0.2808 -0.0959 C 0 0 0 0 0 -0.6232 0.0257 -0.0971 C 0 0 0 0 0 -0.2457 1.1746 0.0335 O 0 0 0 0 0 0.2766 -0.9671 -0.2433 N 0 0 0 0 0 2.5045 -1.6234 0.4189 C 0 0 0 0 0 1.4801 1.2403 -1.0634 H 0 0 0 0 0 3.8892 1.7174 -0.9010 H 0 0 0 0 0 5.4090 0.0622 0.1012 H 0 0 0 0 0 4.5254 -2.0747 0.9449 H 0 0 0 0 0 -2.3420 2.5376 1.5965 H 0 0 0 0 0 -5.0906 1.2346 0.1861 H 0 0 0 0 0 -5.8341 -1.0900 -0.0870 H 0 0 0 0 0 -4.1887 -2.8974 -0.3625 H 0 0 0 0 0 -1.7854 -2.3975 -0.3665 H 0 0 0 0 0 -0.0237 -1.8727 -0.4144 H 0 0 0 0 0 2.1176 -2.5602 0.7892 H 0 0 0 0 0 10 9 2 0 0 0 10 11 1 0 0 0 9 8 1 0 0 0 11 12 2 0 0 0 8 7 2 0 0 0 12 7 1 0 0 0 12 13 1 0 0 0 15 13 1 0 0 0 15 1 1 0 0 0 7 6 1 0 0 0 2 1 2 0 0 0 2 3 1 0 0 0 13 14 2 0 0 0 1 16 1 0 0 0 3 4 2 0 0 0 16 5 2 0 0 0 4 5 1 0 0 0 2 17 1 0 0 0 3 18 1 0 0 0 4 19 1 0 0 0 5 20 1 0 0 0 6 21 1 0 0 0 8 22 1 0 0 0 9 23 1 0 0 0 10 24 1 0 0 0 11 25 1 0 0 0 15 26 1 0 0 0 16 27 1 0 0 0 M END $$$$