HMDB0000701 RDKit 3D Hexanoylglycine 27 26 0 0 0 0 0 0 0 0999 V2000 -4.4897 -0.4431 -0.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 0.1031 -0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5305 0.0080 0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1177 0.5091 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 -0.2767 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2347 0.1931 0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4684 1.1390 1.1452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2993 -0.4013 -0.3464 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 0.0984 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 -0.6215 -0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3097 -1.5647 -1.7229 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -0.2724 -0.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4017 -1.5268 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -0.0867 -1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -0.0715 0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 -0.5614 -1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 1.1338 -0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6394 -1.0470 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2297 0.5881 1.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 1.5871 0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 0.4136 2.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -1.3539 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5117 -0.1381 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1785 -1.1949 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 -0.0467 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 1.1897 -0.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 -0.6470 -0.1090 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 12 27 1 0 M END