CNT Converted by convert_cif2sdf.py 2024/03/29 11:09:15 27 27 0 0 0 0 0 0 0 0999 V2000 -0.8886 0.9225 -0.5536 N 0 0 0 0 0 -1.8769 1.1670 0.4961 C 0 0 0 0 0 0.3950 1.4818 -0.2120 C 0 0 0 0 0 1.4447 1.1501 -1.2801 C 0 0 0 0 0 2.8597 1.2351 -0.7613 C 0 0 0 0 0 3.5430 2.4377 -0.8445 C 0 0 0 0 0 4.8512 2.5150 -0.3658 C 0 0 0 0 0 5.6932 4.0160 -0.4698 CL 0 0 0 0 0 5.4587 1.3875 0.1880 C 0 0 0 0 0 6.7358 1.4342 0.6630 O 0 0 0 0 0 4.7587 0.1847 0.2642 C 0 0 0 0 0 3.4498 0.1069 -0.2140 C 0 0 0 0 0 0.3029 2.9896 -0.0231 C 0 0 0 0 0 -0.4496 3.6998 -0.6807 O 0 0 0 0 0 1.1142 3.4921 0.9386 O 0 0 0 0 0 -1.2312 1.3363 -1.4260 H 0 0 0 0 0 -1.7064 0.4918 1.3379 H 0 0 0 0 0 -2.8872 1.0006 0.1103 H 0 0 0 0 0 -1.8032 2.1979 0.8516 H 0 0 0 0 0 0.6657 1.0547 0.7601 H 0 0 0 0 0 1.2855 0.1372 -1.6723 H 0 0 0 0 0 1.3261 1.8162 -2.1464 H 0 0 0 0 0 3.0638 3.3124 -1.2780 H 0 0 0 0 0 7.1695 2.2534 0.3750 H 0 0 0 0 0 5.2255 -0.6974 0.6953 H 0 0 0 0 0 2.9123 -0.8350 -0.1515 H 0 0 0 0 0 1.0509 4.4619 1.0648 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 16 1 0 0 0 2 17 1 0 0 0 2 18 1 0 0 0 2 19 1 0 0 0 3 4 1 0 0 0 3 13 1 0 0 0 3 20 1 0 0 0 4 5 1 0 0 0 4 21 1 0 0 0 4 22 1 0 0 0 5 6 2 0 0 0 5 12 1 0 0 0 6 7 1 0 0 0 6 23 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 9 10 1 0 0 0 9 11 1 0 0 0 10 24 1 0 0 0 11 12 2 0 0 0 11 25 1 0 0 0 12 26 1 0 0 0 13 14 2 0 0 0 13 15 1 0 0 0 15 27 1 0 0 0 M END $$$$