HMDB0029885 RDKit 3D Sorbitan laurate 58 58 0 0 0 0 0 0 0 0999 V2000 6.3200 2.0379 1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 1.2401 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -0.1870 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 -1.1795 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5838 -1.2294 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -0.0930 -2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 0.4975 -1.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -0.3022 -2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.4897 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -2.1914 -1.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2095 -1.3530 -1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 -0.8424 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 -1.1506 1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4393 -0.0100 0.4769 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5394 0.4479 1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7461 1.3392 2.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7122 1.7142 3.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0308 0.5604 1.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1327 1.3135 2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7553 1.6687 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6674 0.3645 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4916 -0.5678 0.7598 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1928 0.0282 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 -1.3400 0.3566 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3422 1.5329 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2837 2.0100 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8979 3.0459 1.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 1.4415 0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2586 1.6477 -0.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 -0.3588 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6814 -0.4174 1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0694 -2.2244 0.2617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 -1.0903 0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 -1.2738 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 -2.2509 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 0.7227 -2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8873 -0.4740 -3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 1.0331 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6191 1.4043 -2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5756 0.3582 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 -0.6849 -3.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0967 -2.2325 -1.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 -1.2388 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 -3.1170 -0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0121 -2.4936 -2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -0.4804 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1279 -1.9774 -1.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6154 0.9424 2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 -0.4680 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7097 2.2643 1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2262 2.5573 3.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9714 -0.3134 2.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8358 1.8819 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2075 2.4575 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8733 0.5158 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9842 -1.1337 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5564 0.5787 -0.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9068 -1.5625 -0.6119 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 18 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 22 56 1 0 23 57 1 0 24 58 1 0 M END