shelx corina 05062104353D 1 1.00000 0.00000 CORINA 4.3.0 0026 30.10.2019 28 28 0 0 0 0 0 0 0 0999 V2000 0.1386 3.9752 5.3349 Cl 0 3.0317 -2.1229 -2.2247 O 0 1.5921 -3.9435 -2.4665 O 0 2.0917 -4.3258 -3.2009 H 0 -0.7098 1.9991 -1.1473 O 0 -0.7063 1.9995 1.2190 N 0 -0.7138 1.2871 1.9335 H 0 1.6686 -2.5186 -2.3908 C 0 0.8457 -2.0262 -1.1986 C 0 1.2938 -2.3886 -0.2734 H 0 -0.1738 -2.4030 -1.2805 H 0 0.8250 -0.4964 -1.1902 C 0 0.3769 -0.1340 -2.1154 H 0 1.8445 -0.1197 -1.1083 H 0 0.0021 -0.0041 0.0020 C 0 0.4501 -0.3665 0.9272 H 0 -1.0175 -0.3808 -0.0798 H 0 -0.0187 1.5258 0.0104 C 0 -0.0980 3.2398 1.7188 C 0 -1.1321 4.0247 2.5284 C 0 -1.9831 4.2680 1.8923 H 0 -0.4986 5.3165 3.0489 C 0 -0.1616 5.9209 2.2068 H 0 0.6960 4.9749 3.9419 C 0 1.7300 4.1900 3.1322 C 0 2.0670 4.7944 2.2900 H 0 1.0965 2.8983 2.6117 C 0 0.7595 2.2938 3.4539 H 0 1 24 1 2 8 1 3 4 1 3 8 1 5 18 1 6 7 1 6 18 1 6 19 1 8 9 1 9 10 1 9 11 1 9 12 1 12 13 1 12 14 1 12 15 1 15 16 1 15 17 1 15 18 1 19 20 1 19 27 1 20 21 1 20 22 1 22 23 1 22 24 1 24 25 1 25 26 1 25 27 1 27 28 1 M END $$$$