HMDB0034156 RDKit 3D Ethyl stearate 62 61 0 0 0 0 0 0 0 0999 V2000 -9.0540 -0.4651 -0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8340 0.2988 -0.9088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5685 -0.3520 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7954 -0.2795 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8562 -0.8519 2.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4573 -0.4223 2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6036 -0.6632 1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1409 -0.1977 1.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.5045 0.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0482 -0.1582 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 1.3216 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6749 1.6506 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3904 1.3237 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 1.7455 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7164 1.4897 -1.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6943 0.0214 -2.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1838 -0.8629 -1.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5796 -0.6322 -0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 0.2288 -1.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1845 -1.3593 0.3438 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5275 -1.0903 0.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4097 -1.3439 -0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8499 -1.5380 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8135 -0.3897 -1.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5021 0.0314 0.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8534 1.3420 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6342 0.2605 -1.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7666 0.2968 -0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4359 -1.3714 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8086 -0.7949 1.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0291 0.8004 1.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3142 -0.6862 3.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8553 -1.9943 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3669 0.6529 2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0084 -1.0017 3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8355 -0.1612 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4843 -1.7769 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -0.7021 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 0.9127 1.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5929 -1.5555 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 0.1242 -0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -0.7086 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -0.4658 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 1.9280 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2709 1.5868 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 2.7546 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 1.1233 1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 0.2115 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9582 1.7899 -1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1957 1.1923 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 2.8138 -0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7185 1.8810 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3571 2.1036 -2.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 -0.1037 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 -0.3241 -2.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0392 -1.9201 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5368 -0.7931 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5926 -0.0012 0.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7963 -1.7179 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8338 -1.5878 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0960 -0.4876 -0.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0694 -2.2205 -0.2751 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 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 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 22 62 1 0 M END