JNM Converted by convert_cif2sdf.py 2024/03/29 11:09:15 28 28 0 0 0 0 0 0 0 0999 V2000 -3.1186 -1.1970 0.2810 C 0 0 0 0 0 -0.7699 -0.4244 0.5674 C 0 0 0 0 0 3.7622 -0.4035 -0.2281 C 0 0 0 0 0 2.2862 -0.0807 -0.4746 C 0 0 0 0 0 1.6156 0.2800 0.8532 C 0 0 0 0 0 0.1628 0.5977 0.6108 C 0 0 0 0 0 -0.2344 1.9109 0.4315 C 0 0 0 0 0 -1.5637 2.2189 0.2089 C 0 0 0 0 0 -2.5149 1.2141 0.1617 C 0 0 0 0 0 -3.8182 1.5201 -0.0569 O 0 0 0 0 0 -2.1241 -0.1245 0.3354 C 0 0 0 0 0 -2.7768 -2.3516 0.4361 O 0 0 0 0 0 -4.5687 -0.8682 0.0391 C 0 0 0 0 0 -0.3784 -1.7119 0.7423 O 0 0 0 0 0 4.2399 -0.6598 -1.1737 H 0 0 0 0 0 4.2567 0.4654 0.2048 H 0 0 0 0 0 3.8387 -1.2463 0.4577 H 0 0 0 0 0 2.2087 0.7630 -1.1614 H 0 0 0 0 0 1.7916 -0.9487 -0.9086 H 0 0 0 0 0 1.6931 -0.5637 1.5390 H 0 0 0 0 0 2.1102 1.1480 1.2861 H 0 0 0 0 0 0.5003 2.7008 0.4666 H 0 0 0 0 0 -1.8611 3.2485 0.0723 H 0 0 0 0 0 -4.0686 1.5295 -0.9902 H 0 0 0 0 0 -5.1546 -1.7877 0.0361 H 0 0 0 0 0 -4.9291 -0.2094 0.8291 H 0 0 0 0 0 -4.6722 -0.3696 -0.9255 H 0 0 0 0 0 -0.1327 -2.1629 -0.0762 H 0 0 0 0 0 5 4 1 0 0 0 5 6 1 0 0 0 4 3 1 0 0 0 7 6 2 0 0 0 7 8 1 0 0 0 6 2 1 0 0 0 8 9 2 0 0 0 2 14 1 0 0 0 2 11 2 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 11 1 1 0 0 0 1 12 2 0 0 0 1 13 1 0 0 0 3 15 1 0 0 0 3 16 1 0 0 0 3 17 1 0 0 0 4 18 1 0 0 0 4 19 1 0 0 0 5 20 1 0 0 0 5 21 1 0 0 0 7 22 1 0 0 0 8 23 1 0 0 0 10 24 1 0 0 0 13 25 1 0 0 0 13 26 1 0 0 0 13 27 1 0 0 0 14 28 1 0 0 0 M END $$$$