HMDB0255039 RDKit 3D N-4-Carboxybenzylglucamine dithiocarbamate 46 46 0 0 0 0 0 0 0 0999 V2000 -4.9239 2.6261 -2.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 2.2903 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0831 2.9710 -0.5671 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3534 1.2181 -0.6721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 0.5295 -1.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -0.4956 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -0.8593 0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 -1.9438 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 -2.1532 0.5814 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0574 -1.0329 0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.0965 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 -1.2452 -1.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 0.2665 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1812 1.2214 -0.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 0.3287 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2112 -0.6583 0.1886 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 1.6720 -0.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2821 1.6954 -0.8572 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2502 2.0437 1.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 3.3165 1.2838 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5878 -3.4169 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 -3.8421 -0.6836 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 -4.6727 0.0942 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8635 -0.1518 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5961 0.8704 0.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9519 3.2382 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2229 0.8309 -2.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9109 -1.0088 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7427 -2.8527 1.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -1.6127 2.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -0.1098 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3326 -0.8529 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9898 -1.9022 0.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -1.4340 -1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0956 0.3437 1.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 1.5192 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 0.0800 -1.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 -1.4650 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3672 2.4302 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6811 0.7956 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3069 1.9825 1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 1.3558 1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 3.5871 0.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8133 -5.4132 -1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0589 -0.4112 2.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3633 1.4179 1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 9 21 1 0 21 22 2 0 21 23 1 0 7 24 1 0 24 25 2 0 25 4 1 0 3 26 1 0 5 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 23 44 1 0 24 45 1 0 25 46 1 0 M END