HMDB0013034 RDKit 3D Palmitoylglycine 57 56 0 0 0 0 0 0 0 0999 V2000 -6.1637 -1.6742 -1.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9201 -0.3677 -1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 0.6870 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3512 0.2512 0.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7819 1.2542 1.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3391 1.5944 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4457 0.3857 1.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0141 0.8582 1.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 -0.2732 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 0.1214 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 0.6898 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 1.1903 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 0.4275 -0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 -0.1073 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -0.8790 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0034 -0.0702 -0.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 1.1649 -0.7483 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 -0.6961 -1.0124 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2482 0.1021 -1.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3987 -0.7772 -1.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3657 -2.0279 -1.7479 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5019 -0.2043 -2.5671 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2111 -2.1469 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1191 -1.5036 -1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6229 -2.3711 -2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9551 -0.5707 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9365 -0.0286 -2.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2699 0.8268 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9110 1.6188 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4066 0.0739 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 -0.6850 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3994 2.1726 1.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8071 0.8083 2.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0095 2.3035 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1972 2.0898 0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7379 -0.4367 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 -0.0002 2.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 1.6845 2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 1.3161 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0870 -0.6779 2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3596 -1.0605 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -0.8170 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 0.8304 2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1879 1.5734 -0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0617 -0.0047 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 1.7072 -1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 2.1346 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7545 1.1457 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9185 -0.3557 -1.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 -0.7677 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0263 0.7494 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2967 -1.3455 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -1.7287 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3098 -1.7150 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6058 0.9104 -0.9736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8739 0.5368 -2.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8361 0.6740 -2.2082 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 1 0 7 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 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 22 57 1 0 M END