compound 3c.mol corina 05102108023D 1 1.00000 0.00000 CORINA 4.3.0 0026 30.10.2019 44 49 0 0 0 0 0 0 0 0999 V2000 -9.5973 4.6260 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8320 5.0218 0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3779 4.8081 0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0571 4.8405 -1.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9510 3.9908 -2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4759 5.6545 1.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2399 2.6626 -2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6324 2.0759 -3.5983 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7384 2.7988 -4.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4473 4.1143 -4.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0511 4.7162 -2.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6431 5.7162 -1.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0081 5.9112 -1.9161 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7976 5.2424 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2245 4.3737 -0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8615 4.1645 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5322 5.1214 2.4868 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1868 5.8960 3.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6754 7.0726 2.9214 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2841 7.2160 1.2132 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4370 5.7986 0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 5.3561 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9997 3.9996 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5848 3.2389 0.0437 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7133 3.2801 0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6943 1.8810 0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 1.2146 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3008 1.9306 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3198 3.3296 0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5112 3.9961 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4138 8.0754 3.7097 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8679 9.2495 3.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5518 10.1784 3.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7988 9.9563 5.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3447 8.7823 5.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6658 7.8508 5.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 1.2110 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 1.9007 0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3718 1.1265 -0.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5377 10.9591 5.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9324 11.9786 5.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7755 10.7452 7.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.5089 11.7754 7.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 39 40 1 0 37 38 2 0 37 39 1 0 28 37 1 0 43 44 1 0 41 42 2 0 41 43 1 0 34 41 1 0 1 2 2 0 2 3 1 0 1 4 1 0 1 5 1 0 2 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 5 1 0 4 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 4 1 0 6 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 6 1 0 3 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 3 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 25 1 0 19 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 31 1 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 4 37 38 39 40 M SBL 1 1 4 M SMT 1 CO2CH3 M SBV 1 4 -0.3356 -0.7537 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 41 42 43 44 M SBL 2 1 8 M SMT 2 ^CO2CH3 M SBV 2 8 0.3356 -0.7537 M END $$$$