HMDB0000827 RDKit 3D Stearic acid 56 55 0 0 0 0 0 0 0 0999 V2000 -7.3518 -1.0857 -1.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2954 -0.0090 -1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7614 -0.1457 0.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7097 0.9152 0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 0.7967 -0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5352 1.8797 -0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 1.8159 1.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3147 0.5985 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.0850 1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -0.3820 -0.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0861 -0.9072 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1733 0.1114 -0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -0.3999 -1.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 -1.5566 -0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3719 -1.2547 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3123 -0.1887 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 -0.2333 0.7166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 -0.2578 -0.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 -1.2648 -1.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 0.9368 -1.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2489 -1.8911 -0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2449 -1.5213 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3647 -0.6175 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7004 1.0040 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4821 -0.2126 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5965 -0.0470 1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2954 -1.1683 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3747 0.7482 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1862 1.8990 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9078 0.9747 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1148 -0.2267 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8588 2.1200 -0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 2.8464 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 2.7300 1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8565 2.0013 2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1102 -0.2116 1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0972 0.7865 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 0.9262 1.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2884 -0.7749 1.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 -1.2733 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 0.3004 -1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3428 -1.7879 -0.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8595 -1.2760 -1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 0.6281 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8402 0.9244 -1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 -0.7577 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2142 0.3853 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 -2.3342 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8172 -2.0401 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3736 -0.9787 1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 -2.2080 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8980 0.8406 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -0.1060 2.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 0.7349 1.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3239 -1.0062 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5491 1.1355 -2.1478 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 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 12 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 0 15 51 1 0 16 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 20 56 1 0 M END