FZJ Converted by convert_cif2sdf.py 2024/03/29 11:09:15 33 35 0 0 0 0 0 0 0 0999 V2000 -5.2877 0.8827 -0.3327 C 0 0 0 0 0 -3.2262 -0.1391 -0.3538 C 0 0 0 0 0 -2.8410 0.6464 0.7343 C 0 0 0 0 0 -3.7547 1.5455 1.2501 C 0 0 0 0 0 -1.0275 -1.1072 -0.4670 C 0 0 0 0 0 -0.1543 0.0662 -0.5777 C 0 0 0 0 0 2.2067 0.9717 -0.1285 C 0 0 0 0 0 3.7524 -1.7874 1.2704 O 0 0 0 0 0 -0.5791 1.1054 -1.0536 O 0 0 0 0 0 -4.4502 0.0090 -0.8532 N 0 0 0 0 0 -4.9540 1.6383 0.6941 N 0 0 0 0 0 -2.3454 -1.0560 -0.9069 N 0 0 0 0 0 -0.5109 -2.2643 0.0773 C 0 0 0 0 0 0.8197 -2.2855 0.5058 C 0 0 0 0 0 1.6115 -1.1779 0.3918 C 0 0 0 0 0 3.0219 -0.9575 0.7651 C 0 0 0 0 0 3.3723 0.3051 0.4606 N 0 0 0 0 0 1.1198 -0.0139 -0.1479 N 0 0 0 0 0 1.8053 2.1758 0.7270 C 0 0 0 0 0 2.5271 1.4254 -1.5541 C 0 0 0 0 0 -6.2728 0.9847 -0.7620 H 0 0 0 0 0 -1.8551 0.5505 1.1653 H 0 0 0 0 0 -3.4922 2.1698 2.0917 H 0 0 0 0 0 -2.6490 -1.6611 -1.6020 H 0 0 0 0 0 -1.1286 -3.1442 0.1729 H 0 0 0 0 0 1.2268 -3.1896 0.9322 H 0 0 0 0 0 4.2445 0.7047 0.6047 H 0 0 0 0 0 1.6017 1.8463 1.7454 H 0 0 0 0 0 2.6183 2.9023 0.7355 H 0 0 0 0 0 0.9105 2.6369 0.3076 H 0 0 0 0 0 1.6416 1.8776 -1.9996 H 0 0 0 0 0 3.3349 2.1566 -1.5291 H 0 0 0 0 0 2.8346 0.5649 -2.1485 H 0 0 0 0 0 9 6 2 0 0 0 20 7 1 0 0 0 10 1 2 0 0 0 10 2 1 0 0 0 1 11 1 0 0 0 12 2 1 0 0 0 12 5 1 0 0 0 19 7 1 0 0 0 6 5 1 0 0 0 6 18 1 0 0 0 7 18 1 0 0 0 7 17 1 0 0 0 2 3 2 0 0 0 5 13 2 0 0 0 18 15 1 0 0 0 11 4 2 0 0 0 17 16 1 0 0 0 3 4 1 0 0 0 13 14 1 0 0 0 15 16 1 0 0 0 15 14 2 0 0 0 16 8 2 0 0 0 1 21 1 0 0 0 3 22 1 0 0 0 4 23 1 0 0 0 12 24 1 0 0 0 13 25 1 0 0 0 14 26 1 0 0 0 17 27 1 0 0 0 19 28 1 0 0 0 19 29 1 0 0 0 19 30 1 0 0 0 20 31 1 0 0 0 20 32 1 0 0 0 20 33 1 0 0 0 M END $$$$