JXG Converted by convert_cif2sdf.py 2024/03/29 11:09:15 31 31 0 0 0 0 0 0 0 0999 V2000 6.0779 -0.7160 -0.1098 O 0 0 0 0 0 5.4654 0.6434 -0.4143 S 0 0 0 0 0 5.3201 1.3071 0.8334 O 0 0 0 0 0 6.2064 1.1839 -1.4994 O 0 0 0 0 0 4.0570 0.3966 -0.9364 O 0 0 0 0 0 3.0952 0.0225 0.1007 N 0 0 0 0 0 1.7614 -0.2008 -0.4746 C 0 0 0 0 0 1.0214 -1.2512 0.3571 C 0 0 0 0 0 1.0006 1.0917 -0.4763 C 0 0 0 0 0 -0.2541 1.2064 -0.1789 C 0 0 0 0 0 -0.8798 2.5754 -0.2472 C 0 0 0 0 0 -1.1218 0.0498 0.2311 C 0 0 0 0 0 -2.3970 0.0677 -0.5721 C 0 0 0 0 0 -2.3608 -0.1046 -1.7726 O 0 0 0 0 0 -3.5782 0.2749 0.0427 N 0 0 0 0 0 -0.4026 -1.2028 -0.0176 N 0 0 0 0 0 -1.0190 -2.2681 -0.5678 C 0 0 0 0 0 -2.1727 -2.1815 -0.9306 O 0 0 0 0 0 3.0628 0.7170 0.8316 H 0 0 0 0 0 1.8655 -0.5586 -1.4988 H 0 0 0 0 0 1.4245 -2.2407 0.1458 H 0 0 0 0 0 1.1314 -1.0259 1.4183 H 0 0 0 0 0 1.5373 1.9904 -0.7446 H 0 0 0 0 0 -0.1282 3.3031 -0.5569 H 0 0 0 0 0 -1.6962 2.5664 -0.9694 H 0 0 0 0 0 -1.2663 2.8484 0.7344 H 0 0 0 0 0 -1.3583 0.1290 1.2917 H 0 0 0 0 0 -4.3985 0.2866 -0.4737 H 0 0 0 0 0 -3.6074 0.4129 1.0029 H 0 0 0 0 0 -0.4842 -3.1991 -0.6862 H 0 0 0 0 0 6.9822 -0.6717 0.2316 H 0 0 0 0 0 15 13 1 0 0 0 13 14 2 0 0 0 13 12 1 0 0 0 11 10 1 0 0 0 12 10 1 0 0 0 12 16 1 0 0 0 18 17 2 0 0 0 10 9 2 0 0 0 16 17 1 0 0 0 16 8 1 0 0 0 9 7 1 0 0 0 8 7 1 0 0 0 7 6 1 0 0 0 4 2 2 0 0 0 5 2 1 0 0 0 5 6 1 0 0 0 2 3 2 0 0 0 2 1 1 0 0 0 6 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 11 24 1 0 0 0 11 25 1 0 0 0 11 26 1 0 0 0 12 27 1 0 0 0 15 28 1 0 0 0 15 29 1 0 0 0 17 30 1 0 0 0 1 31 1 0 0 0 M END $$$$