HMDB0015130 RDKit 3D Auranofin 66 66 0 0 0 0 0 0 0 0999 V2000 5.3714 0.1023 -2.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5886 0.3501 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 -0.1871 0.3074 P 0 0 0 0 0 4 0 0 0 0 0 0 4.0024 -1.9681 0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3638 -2.6313 0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9147 0.6699 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6967 -0.0135 2.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.4723 -0.8861 Au 0 0 0 0 0 2 0 0 0 0 0 0 1.3794 1.3803 -1.0561 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 1.6107 -0.8361 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6833 1.6225 0.5126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0586 1.8639 0.7324 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3090 2.0719 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 0.9278 2.9181 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 0.8226 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6085 -0.4124 4.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 1.7974 4.9509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7943 0.6998 0.1674 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1291 0.5954 0.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6825 -0.4959 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1133 -0.5709 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 -1.4395 1.4633 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 0.7543 -1.3451 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4335 -0.1367 -2.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3862 0.2741 -2.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2528 -0.6887 -3.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4484 1.5157 -3.1756 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1275 0.5166 -1.5790 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7656 0.4962 -2.9203 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1352 -0.5937 -3.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 -0.6308 -4.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 -1.5980 -2.7859 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 0.1723 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 0.8629 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7146 -0.9285 -2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6998 1.4407 -0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 -0.1333 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3856 -2.3821 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5090 -2.2910 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -2.6957 1.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -3.6725 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.1499 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 0.5754 2.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2220 1.7212 1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2722 0.3697 3.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5662 -1.0971 2.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7823 0.2030 2.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 2.5831 -1.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2978 2.7821 0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 3.0109 2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 2.1590 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.3862 6.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 -0.5440 5.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 -1.2946 4.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2732 -0.2415 0.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4974 -1.6120 1.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6836 -0.0241 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3274 -0.1454 2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7838 1.8297 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1663 -0.1400 -4.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5839 -1.5242 -3.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7611 -1.1115 -4.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8288 -0.4462 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 -1.2082 -5.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 0.3702 -5.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5254 -1.2290 -5.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 3 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 12 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 2 0 23 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 28 10 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 6 44 1 0 7 45 1 0 7 46 1 0 7 47 1 0 10 48 1 6 12 49 1 6 13 50 1 0 13 51 1 0 16 52 1 0 16 53 1 0 16 54 1 0 18 55 1 1 21 56 1 0 21 57 1 0 21 58 1 0 23 59 1 6 26 60 1 0 26 61 1 0 26 62 1 0 28 63 1 1 31 64 1 0 31 65 1 0 31 66 1 0 M CHG 2 3 1 8 -1 M END