shelx --CCDC--041321 3D 16 16 0 0 0 0 0 0 0 0999 V2000 22.6741 1.4514 2.9889 Cl 0 12.4775 1.9749 9.1444 O 0 11.2357 3.7490 8.6209 O 0 16.6969 1.4884 5.8773 O 0 17.6805 3.4637 5.4288 N 0 12.3077 3.0190 8.5256 C 0 13.3408 3.6097 7.6159 C 0 14.4913 2.6986 7.2345 C 0 15.5352 3.4954 6.4922 C 0 16.6748 2.6929 5.9143 C 0 18.8733 2.9522 4.8499 C 0 18.8394 1.9461 3.9053 C 0 20.0136 1.4855 3.3449 C 0 21.2034 2.0349 3.7165 C 0 21.2611 3.0367 4.6388 C 0 20.0855 3.4988 5.2099 C 0 1 14 1 2 6 1 3 6 1 4 10 1 5 10 1 5 11 1 6 7 1 7 8 1 8 9 1 9 10 1 11 12 1 11 16 1 12 13 1 13 14 1 14 15 1 15 16 1 M END $$$$