HMDB0002003 RDKit 3D Tetracosanoic acid 74 73 0 0 0 0 0 0 0 0999 V2000 8.2418 3.3083 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8378 2.2074 1.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3599 1.0675 0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4991 0.3135 -0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 -0.4112 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1852 0.3160 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0647 -0.6597 0.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5016 -1.4052 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4067 -2.3027 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7488 -3.1167 -0.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1046 -2.2850 -1.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0291 -1.3726 -1.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 -2.1557 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1969 -1.2666 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8365 -0.4601 -1.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9228 0.4158 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 -0.4324 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1030 0.4219 0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0834 -0.5383 1.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2731 0.0926 1.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0382 0.8774 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2527 1.5116 1.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0515 2.3055 0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5795 1.5075 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4201 0.2879 -0.8601 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3100 2.1817 -1.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 4.1989 1.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2138 3.0885 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9228 3.6267 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7325 2.7477 1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 2.0142 2.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8784 0.3595 1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2677 1.4675 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1706 -0.4930 -0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2582 0.9233 -1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6088 -1.3318 0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 -0.9149 -0.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3793 0.8566 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 1.0113 -0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3002 -0.0387 1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -1.3705 1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0008 -0.6405 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 -1.9652 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -1.7002 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9109 -3.0121 1.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9755 -3.7521 -0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4912 -3.8144 -1.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 -2.9977 -2.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 -1.6924 -2.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -0.6611 -0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 -0.7672 -2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -2.6503 0.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 -2.9452 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 -0.6577 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 -1.9933 0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3507 -1.1291 -1.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 0.1145 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4365 1.0000 -1.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5115 1.1536 0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4212 -1.1064 -0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5800 -0.9984 0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5922 1.0015 -0.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7376 1.1022 1.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4673 -1.2287 0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4932 -1.1686 1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8892 -0.6773 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9179 0.7844 2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3632 1.6881 0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2665 0.1753 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8756 2.2133 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8426 0.7002 1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8647 2.8225 0.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3899 3.1023 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1486 3.1463 -1.9423 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 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 22 70 1 0 22 71 1 0 23 72 1 0 23 73 1 0 26 74 1 0 M END