JKG Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 29 0 0 0 0 0 0 0 0999 V2000 -2.6462 1.0223 1.0527 C 0 0 0 0 0 -3.7319 -0.5441 -0.9554 C 0 0 0 0 0 4.4693 -0.9945 -0.0299 C 0 0 0 0 0 3.4528 -0.2703 -0.6290 C 0 0 0 0 0 2.8288 0.5934 0.1736 C 0 0 0 0 0 3.5346 0.5179 1.7830 S 0 0 0 0 0 4.6676 -0.7225 1.2612 C 0 0 0 0 0 1.6943 1.4962 -0.2363 C 0 0 0 0 0 0.4157 0.8057 -0.0175 N 0 0 0 0 0 -0.7159 1.6575 -0.4067 C 0 0 0 0 0 -2.0066 0.9176 -0.1682 C 0 0 0 0 0 -3.8270 0.3406 1.2760 C 0 0 0 0 0 -4.3737 -0.4457 0.2710 C 0 0 0 0 0 -2.5485 0.1354 -1.1716 C 0 0 0 0 0 -5.5372 -1.1125 0.4853 O 0 0 0 0 0 -2.2207 1.6335 1.8343 H 0 0 0 0 0 -4.1552 -1.1551 -1.7388 H 0 0 0 0 0 5.0540 -1.7281 -0.5648 H 0 0 0 0 0 3.1857 -0.3954 -1.6676 H 0 0 0 0 0 5.4122 -1.1890 1.8888 H 0 0 0 0 0 1.7220 2.4077 0.3610 H 0 0 0 0 0 1.7944 1.7497 -1.2914 H 0 0 0 0 0 0.3914 -0.0747 -0.5095 H 0 0 0 0 0 -0.7052 2.5705 0.1895 H 0 0 0 0 0 -0.6318 1.9126 -1.4628 H 0 0 0 0 0 -4.3248 0.4184 2.2308 H 0 0 0 0 0 -2.0488 0.0585 -2.1251 H 0 0 0 0 0 -5.4202 -2.0037 0.8422 H 0 0 0 0 0 6 7 1 0 0 0 6 5 1 0 0 0 2 14 2 0 0 0 2 13 1 0 0 0 14 11 1 0 0 0 7 3 2 0 0 0 15 13 1 0 0 0 9 8 1 0 0 0 9 10 1 0 0 0 13 12 2 0 0 0 5 8 1 0 0 0 5 4 2 0 0 0 11 10 1 0 0 0 11 1 2 0 0 0 3 4 1 0 0 0 12 1 1 0 0 0 1 16 1 0 0 0 2 17 1 0 0 0 3 18 1 0 0 0 4 19 1 0 0 0 7 20 1 0 0 0 8 21 1 0 0 0 8 22 1 0 0 0 9 23 1 0 0 0 10 24 1 0 0 0 10 25 1 0 0 0 12 26 1 0 0 0 14 27 1 0 0 0 15 28 1 0 0 0 M END $$$$