HMDB0000220 RDKit 3D Palmitic acid 50 49 0 0 0 0 0 0 0 0999 V2000 -3.5104 -0.8661 -3.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3981 -0.0759 -1.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7882 0.0744 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 0.8250 0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5592 0.4304 1.3408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 0.4086 1.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4410 1.7570 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 1.7322 1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 0.7739 0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2609 0.9118 1.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 -0.0113 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 0.2120 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5892 -0.6495 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 -0.3841 -1.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6113 -1.1957 -2.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 -2.6249 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -3.0517 -1.3756 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1573 -3.5467 -2.5893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 -0.1120 -3.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -1.6901 -2.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 -1.2600 -3.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 0.8581 -1.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 -0.7713 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -0.9757 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3614 0.5655 -2.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2313 0.8393 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8734 1.9228 -0.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -0.6116 1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 1.0972 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -0.3755 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0034 0.2740 2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8898 2.4522 2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 2.1628 0.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8414 1.4022 2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 2.7406 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 -0.2660 0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 1.0572 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3867 0.6731 2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 1.9398 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 -1.0656 0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1273 0.2761 -0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6448 0.0139 1.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 1.2650 0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5745 -0.3091 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 -1.6899 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 -0.6106 -1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8784 0.6862 -1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6623 -0.9641 -1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4946 -0.8949 -3.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4882 -3.3484 -3.5125 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 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 18 50 1 0 M END