90B Converted by convert_cif2sdf.py 2024/03/29 11:09:15 56 59 0 0 0 0 0 0 0 0999 V2000 -6.6681 1.5760 1.0419 C 0 0 0 0 0 -7.4201 2.9093 1.0523 C 0 0 0 0 0 -7.7995 3.2691 -0.3189 N 0 0 0 0 0 -6.6146 3.4465 -1.1685 C 0 0 0 0 0 -5.8377 2.1304 -1.2450 C 0 0 0 0 0 -5.4197 1.7076 0.1653 C 0 0 0 0 0 -4.7265 0.4183 0.1049 N 0 0 0 0 0 -3.4041 0.3746 -0.1538 C 0 0 0 0 0 -2.7874 1.4060 -0.3368 O 0 0 0 0 0 -2.7048 -0.9265 -0.2149 C 0 0 0 0 0 -1.3364 -0.9731 -0.4770 C 0 0 0 0 0 -3.4119 -2.1120 -0.0061 C 0 0 0 0 0 -2.7563 -3.3261 -0.0642 C 0 0 0 0 0 -3.7167 -4.9303 0.2187 BR 0 0 0 0 0 -1.3993 -3.3725 -0.3293 C 0 0 0 0 0 -0.6866 -2.1968 -0.5337 C 0 0 0 0 0 0.6853 -2.2487 -0.7957 N 0 0 0 0 0 1.4908 -1.1766 -0.4705 C 0 0 0 0 0 3.1448 -1.0408 -0.8814 S 0 0 0 0 0 1.0963 -0.1251 0.1874 N 0 0 0 0 0 1.9852 0.8085 0.4162 C 0 0 0 0 0 3.2260 0.5293 -0.0867 C 0 0 0 0 0 4.4083 1.3838 0.0142 C 0 0 0 0 0 4.3396 2.4531 0.5928 O 0 0 0 0 0 5.5746 0.9869 -0.5327 N 0 0 0 0 0 6.7335 1.7472 -0.3375 C 0 0 0 0 0 6.7265 3.1101 -0.6129 C 0 0 0 0 0 5.2822 3.8717 -1.2015 CL 0 0 0 0 0 7.8732 3.8570 -0.4189 C 0 0 0 0 0 9.0243 3.2516 0.0501 C 0 0 0 0 0 9.0325 1.8963 0.3262 C 0 0 0 0 0 7.8893 1.1444 0.1384 C 0 0 0 0 0 7.8988 -0.3312 0.4455 C 0 0 0 0 0 -6.3723 1.3165 2.0587 H 0 0 0 0 0 -7.3144 0.7965 0.6402 H 0 0 0 0 0 -8.3170 2.8145 1.6643 H 0 0 0 0 0 -6.7768 3.6855 1.4673 H 0 0 0 0 0 -8.3783 4.0953 -0.3296 H 0 0 0 0 0 -6.9259 3.7439 -2.1697 H 0 0 0 0 0 -5.9758 4.2209 -0.7434 H 0 0 0 0 0 -6.4716 1.3598 -1.6834 H 0 0 0 0 0 -4.9505 2.2669 -1.8636 H 0 0 0 0 0 -4.7536 2.4599 0.5890 H 0 0 0 0 0 -5.2194 -0.4044 0.2503 H 0 0 0 0 0 -0.7833 -0.0592 -0.6352 H 0 0 0 0 0 -4.4715 -2.0800 0.2013 H 0 0 0 0 0 -0.8923 -4.3244 -0.3733 H 0 0 0 0 0 1.0722 -3.0387 -1.2062 H 0 0 0 0 0 1.7589 1.7174 0.9517 H 0 0 0 0 0 5.6112 0.1756 -1.0617 H 0 0 0 0 0 7.8692 4.9163 -0.6335 H 0 0 0 0 0 9.9187 3.8378 0.2013 H 0 0 0 0 0 9.9334 1.4258 0.6919 H 0 0 0 0 0 8.1937 -0.8854 -0.4461 H 0 0 0 0 0 8.6067 -0.5314 1.2489 H 0 0 0 0 0 6.9013 -0.6450 0.7538 H 0 0 0 0 0 4 5 1 0 0 0 4 3 1 0 0 0 1 6 1 0 0 0 1 2 1 0 0 0 6 5 1 0 0 0 6 7 1 0 0 0 3 2 1 0 0 0 7 8 1 0 0 0 9 8 2 0 0 0 8 10 1 0 0 0 11 10 2 0 0 0 11 16 1 0 0 0 10 12 1 0 0 0 17 16 1 0 0 0 17 18 1 0 0 0 16 15 2 0 0 0 20 18 2 0 0 0 20 21 1 0 0 0 12 13 2 0 0 0 18 19 1 0 0 0 21 22 2 0 0 0 15 13 1 0 0 0 13 14 1 0 0 0 19 22 1 0 0 0 22 23 1 0 0 0 23 25 1 0 0 0 23 24 2 0 0 0 25 26 1 0 0 0 33 32 1 0 0 0 26 32 2 0 0 0 26 27 1 0 0 0 32 31 1 0 0 0 27 28 1 0 0 0 27 29 2 0 0 0 31 30 2 0 0 0 29 30 1 0 0 0 1 34 1 0 0 0 1 35 1 0 0 0 2 36 1 0 0 0 2 37 1 0 0 0 3 38 1 0 0 0 4 39 1 0 0 0 4 40 1 0 0 0 5 41 1 0 0 0 5 42 1 0 0 0 6 43 1 0 0 0 7 44 1 0 0 0 11 45 1 0 0 0 12 46 1 0 0 0 15 47 1 0 0 0 17 48 1 0 0 0 21 49 1 0 0 0 25 50 1 0 0 0 29 51 1 0 0 0 30 52 1 0 0 0 31 53 1 0 0 0 33 54 1 0 0 0 33 55 1 0 0 0 33 56 1 0 0 0 M END $$$$