HMDB0000953 RDKit 3D Suberylglycine 33 32 0 0 0 0 0 0 0 0999 V2000 -4.4541 0.5066 -1.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9531 0.6923 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1809 1.3504 -0.5907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 0.2511 0.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9768 -0.4103 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9505 0.4656 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.2033 -0.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0699 -0.6184 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 -1.2873 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3577 -0.4731 0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2248 0.7032 -0.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6342 -1.0828 0.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7397 -0.3257 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 0.8656 0.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2345 1.0978 1.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9732 1.7389 0.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1642 2.3571 -0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0021 -0.4858 1.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2143 1.0706 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -0.6824 1.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 -1.3707 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 1.3557 0.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 0.8785 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 0.4875 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 -1.0638 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0584 0.2429 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7785 -1.3852 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5408 -1.5154 2.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -2.2616 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8334 -2.0571 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5725 -0.0624 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 -0.9261 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 2.1474 -0.6921 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 16 33 1 0 M END