molbank-2004-M555-s003.mol corina 04131423543D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 19 20 0 0 0 0 0 0 0 0999 V2000 -0.0159 1.3242 0.0093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -0.6980 -0.0125 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3039 -0.0764 -0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 1.3335 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1078 2.0225 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6058 -0.4960 -0.0354 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4486 0.5869 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 1.7221 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -3.8538 -1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 -2.4136 -1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0371 -1.8960 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7717 -4.4092 -0.4605 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0732 3.7581 0.0114 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5853 -4.5195 -2.6597 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0595 -6.4920 -4.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 -5.9036 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 -0.8736 0.0126 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.5217 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 1 2 0 4 7 1 0 7 8 1 0 8 9 2 0 9 5 1 0 10 11 1 0 11 12 1 0 7 12 1 0 10 13 2 0 6 14 1 0 10 15 1 0 15 17 1 0 16 17 1 0 2 18 1 0 18 19 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 3 15 16 17 M SBL 1 1 16 M SMT 1 OC2H5 M SBV 1 16 -6.5961 5.7234 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 18 19 M SBL 2 1 19 M SMT 2 SCH3 M SBV 2 19 -6.9538 5.5172 M END $$$$