HMDB0032642 RDKit 3D 5-Methyl-5-pentacosanol 81 80 0 0 0 0 0 0 0 0999 V2000 10.2413 3.2916 0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3653 2.0383 1.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0802 2.2622 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1565 1.0754 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7734 -0.1585 -0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 -1.3558 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5571 -1.1364 -0.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 -2.3561 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 -2.7236 0.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5462 -1.6787 1.3804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -1.3265 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 -2.5010 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0517 -2.1012 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -1.0483 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.6553 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8031 -0.1191 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9365 0.2704 -2.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8870 1.3213 -1.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7401 1.1593 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6052 -0.0860 -0.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4598 -0.2446 0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5252 -0.3445 1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1471 -1.4500 0.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4596 0.8540 0.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3949 0.9320 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4070 2.0553 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1703 1.7402 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7906 3.1698 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9083 3.3055 1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5794 4.1699 0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 1.8915 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9433 1.1729 0.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5458 3.1201 0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2694 2.5006 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 1.3796 -0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8822 0.9106 1.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 -0.3879 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9213 0.0268 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4055 -2.2115 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6764 -1.5700 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -1.0682 -1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 -0.2005 -0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7831 -2.1722 -1.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -3.1921 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2271 -2.9691 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 -3.6678 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1259 -0.7568 1.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2714 -2.0859 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4118 -0.8475 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6981 -0.5548 1.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0301 -2.8815 1.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 -3.2866 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5679 -3.0461 -0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 -1.8637 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -1.4391 1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1336 -0.1086 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7583 -1.4544 -0.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3726 0.2107 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 0.7454 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2121 -0.8832 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 0.6090 -3.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 -0.6795 -2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4052 2.3379 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6296 1.5240 -2.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4565 2.0697 -0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2629 1.2509 0.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9402 -0.9668 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2021 0.0013 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1605 0.6300 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6487 -0.9630 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0396 -0.9156 2.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4692 -2.1535 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9954 1.8316 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0662 0.5931 1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8983 1.1018 -1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9760 -0.0014 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1388 1.9827 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9434 3.0430 -0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1817 2.2252 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6293 2.1483 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3079 0.6605 0.9878 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 22 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 25 75 1 0 25 76 1 0 26 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 27 81 1 0 M END