HMDB0032358 RDKit 3D Lauroyl diethanolamide 53 52 0 0 0 0 0 0 0 0999 V2000 6.5491 -2.6771 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1943 -2.0601 -1.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 -0.5716 -1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5545 0.0243 -0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0977 -0.2259 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 0.4020 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 0.1059 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 0.6634 1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5907 0.2934 0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8856 0.8646 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3041 0.4605 -0.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2649 1.0463 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8930 1.8903 0.8702 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6357 0.7253 -0.0585 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1519 -0.2467 -0.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3178 -1.6271 -0.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -2.2231 0.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5314 1.4225 0.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0287 2.6680 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8897 3.3886 1.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0221 -3.6570 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.8122 0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2698 -2.0184 0.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -2.4356 -2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1858 -2.2649 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4887 -0.4239 -1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1570 -0.1574 -2.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 -0.4986 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.1213 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7811 0.1774 -1.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -1.3468 -0.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 1.4914 0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 -0.0730 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -0.9671 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 0.6840 -0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 1.7715 1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 0.2112 2.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 0.5267 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5553 -0.8232 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 1.9469 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2361 0.3926 -1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 -0.6385 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 0.7641 -2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4377 -0.2750 -1.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0905 0.1626 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1498 -1.6956 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6948 -2.2475 -1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 -3.2076 0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3694 0.7598 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9834 1.6773 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5553 2.4729 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1823 3.3476 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 3.7112 1.8312 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 14 18 1 0 18 19 1 0 19 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 M END