JDR Converted by convert_cif2sdf.py 2024/03/29 11:09:15 36 37 0 0 0 0 0 0 0 0999 V2000 5.1254 -0.0457 0.0023 N 0 0 0 0 0 4.3870 -1.1502 0.0083 C 0 0 0 0 0 3.0612 -1.1118 0.0072 N 0 0 0 0 0 2.4144 0.0474 0.0011 C 0 0 0 0 0 3.1649 1.2473 -0.0043 C 0 0 0 0 0 4.5664 1.1501 -0.0040 C 0 0 0 0 0 1.0367 0.0813 0.0001 N 0 0 0 0 0 -1.2013 -0.8569 0.0023 C 0 0 0 0 0 -1.8761 -0.7199 -1.1958 C 0 0 0 0 0 -3.2300 -0.4392 -1.1981 C 0 0 0 0 0 -3.9082 -0.2964 -0.0022 C 0 0 0 0 0 -3.2333 -0.4344 1.1959 C 0 0 0 0 0 -1.8794 -0.7141 1.1982 C 0 0 0 0 0 -5.6337 0.0622 -0.0060 S 0 0 0 0 0 -5.9168 0.6792 1.2428 O 0 0 0 0 0 -5.9134 0.6740 -1.2562 O 0 0 0 0 0 -6.4358 -1.3874 -0.0044 N 0 0 0 0 0 2.5008 2.5491 -0.0121 C 0 0 0 0 0 3.1617 3.5673 -0.0167 O 0 0 0 0 0 5.5481 2.5820 -0.0104 CL 0 0 0 0 0 5.1941 -2.7158 0.0165 S 0 0 0 0 0 6.9228 -2.1780 0.0139 C 0 0 0 0 0 0.2737 -1.1690 0.0047 C 0 0 0 0 0 0.5731 0.9329 -0.0044 H 0 0 0 0 0 -1.3460 -0.8317 -2.1300 H 0 0 0 0 0 -3.7570 -0.3315 -2.1349 H 0 0 0 0 0 -3.7634 -0.3226 2.1301 H 0 0 0 0 0 -1.3524 -0.8218 2.1350 H 0 0 0 0 0 -7.3072 -1.4583 0.4144 H 0 0 0 0 0 -6.0332 -2.1648 -0.4223 H 0 0 0 0 0 1.4226 2.6059 -0.0131 H 0 0 0 0 0 7.5752 -3.0519 0.0186 H 0 0 0 0 0 7.1176 -1.5843 -0.8799 H 0 0 0 0 0 7.1175 -1.5755 0.9011 H 0 0 0 0 0 0.5226 -1.7512 -0.8822 H 0 0 0 0 0 0.5215 -1.7425 0.8977 H 0 0 0 0 0 1 2 2 0 0 0 1 6 1 0 0 0 2 3 1 0 0 0 2 21 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 4 7 1 0 0 0 5 6 2 0 0 0 5 18 1 0 0 0 6 20 1 0 0 0 7 23 1 0 0 0 8 9 2 0 0 0 8 13 1 0 0 0 8 23 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 11 14 1 0 0 0 12 13 2 0 0 0 14 15 2 0 0 0 14 16 2 0 0 0 14 17 1 0 0 0 18 19 2 0 0 0 21 22 1 0 0 0 7 24 1 0 0 0 9 25 1 0 0 0 10 26 1 0 0 0 12 27 1 0 0 0 13 28 1 0 0 0 17 29 1 0 0 0 17 30 1 0 0 0 18 31 1 0 0 0 22 32 1 0 0 0 22 33 1 0 0 0 22 34 1 0 0 0 23 35 1 0 0 0 23 36 1 0 0 0 M END $$$$