CQS Converted by convert_cif2sdf.py 2024/03/29 11:09:15 43 45 0 0 0 0 0 0 0 0999 V2000 -1.3912 1.2295 -0.0689 C 0 0 0 0 0 -2.6900 1.9513 0.1804 C 0 0 0 0 0 -4.3692 1.3116 -1.5906 C 0 0 0 0 0 -5.4409 -0.3056 -0.6212 C 0 0 0 0 0 -4.4549 0.1398 0.2759 C 0 0 0 0 0 -6.2727 -1.3646 -0.2196 C 0 0 0 0 0 5.1668 -0.3890 1.1265 C 0 0 0 0 0 3.9741 0.2726 1.3549 C 0 0 0 0 0 3.4913 1.1686 0.4195 C 0 0 0 0 0 4.1993 1.4009 -0.7450 C 0 0 0 0 0 5.3900 0.7372 -0.9741 C 0 0 0 0 0 5.8737 -0.1577 -0.0379 C 0 0 0 0 0 2.1925 1.8914 0.6687 C 0 0 0 0 0 1.0334 1.0673 0.1033 C 0 0 0 0 0 -5.1479 -1.4394 1.7945 C 0 0 0 0 0 -0.2287 1.7697 0.3455 N 0 0 0 0 0 -3.7996 1.1635 -0.3611 N 0 0 0 0 0 -5.3323 0.4484 -1.7410 N 0 0 0 0 0 -6.0886 -1.8926 0.9856 N 0 0 0 0 0 -4.3458 -0.4507 1.4615 N 0 0 0 0 0 -7.2619 -1.8458 -1.0594 N 0 0 0 0 0 7.0384 -2.4069 -1.1144 N 0 0 0 0 0 -1.3928 0.1583 -0.6387 O 0 0 0 0 0 8.1278 -0.1963 -1.2445 O 0 0 0 0 0 7.8984 -1.3669 0.9518 O 0 0 0 0 0 7.3967 -0.9957 -0.3255 S 0 0 0 0 0 -2.8299 2.0872 1.2527 H 0 0 0 0 0 -2.6639 2.9261 -0.3088 H 0 0 0 0 0 -4.0696 2.0399 -2.3291 H 0 0 0 0 0 5.5467 -1.0850 1.8596 H 0 0 0 0 0 3.4219 0.0918 2.2651 H 0 0 0 0 0 3.8214 2.0991 -1.4763 H 0 0 0 0 0 5.9431 0.9191 -1.8835 H 0 0 0 0 0 2.0526 2.0262 1.7411 H 0 0 0 0 0 2.2187 2.8651 0.1796 H 0 0 0 0 0 1.1743 0.9315 -0.9690 H 0 0 0 0 0 1.0072 0.0935 0.5924 H 0 0 0 0 0 -5.0327 -1.8974 2.7658 H 0 0 0 0 0 -0.2277 2.6249 0.8040 H 0 0 0 0 0 -7.8294 -2.5771 -0.7709 H 0 0 0 0 0 -7.3867 -1.4526 -1.9376 H 0 0 0 0 0 6.1163 -2.6234 -1.3264 H 0 0 0 0 0 7.7497 -3.0160 -1.3652 H 0 0 0 0 0 21 6 1 0 0 0 6 19 2 0 0 0 6 4 1 0 0 0 19 15 1 0 0 0 18 4 1 0 0 0 18 3 2 0 0 0 4 5 2 0 0 0 15 20 2 0 0 0 3 17 1 0 0 0 5 20 1 0 0 0 5 17 1 0 0 0 17 2 1 0 0 0 2 1 1 0 0 0 23 1 2 0 0 0 1 16 1 0 0 0 16 14 1 0 0 0 13 14 1 0 0 0 13 9 1 0 0 0 9 10 2 0 0 0 9 8 1 0 0 0 10 11 1 0 0 0 8 7 2 0 0 0 11 12 2 0 0 0 7 12 1 0 0 0 12 26 1 0 0 0 22 26 1 0 0 0 25 26 2 0 0 0 26 24 2 0 0 0 2 27 1 0 0 0 2 28 1 0 0 0 3 29 1 0 0 0 7 30 1 0 0 0 8 31 1 0 0 0 10 32 1 0 0 0 11 33 1 0 0 0 13 34 1 0 0 0 13 35 1 0 0 0 14 36 1 0 0 0 14 37 1 0 0 0 15 38 1 0 0 0 16 39 1 0 0 0 21 40 1 0 0 0 21 41 1 0 0 0 22 42 1 0 0 0 22 43 1 0 0 0 M END $$$$