HMDB0030147 RDKit 3D Prehumulone 59 59 0 0 0 0 0 0 0 0999 V2000 -2.5715 -4.4105 -0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5437 -3.2913 -0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9205 -3.3878 -1.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1356 -2.2020 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7245 -2.1111 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 -0.9404 -0.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3606 -0.8458 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 -1.7579 1.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 0.3648 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5428 0.3303 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1356 1.4244 -0.2346 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.8869 0.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7814 -0.5541 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 -1.7174 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4726 -2.2060 2.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -1.2541 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4201 1.4650 -0.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 2.5919 -0.5737 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 1.5737 -0.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4057 1.6557 -1.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 2.8630 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8509 3.1374 0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3664 4.2183 -0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4619 5.1780 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8318 4.5092 -0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6639 0.3757 0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 0.3202 1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0782 -5.2690 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7299 -4.0165 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -4.7316 0.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5342 -4.0379 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3830 -2.3673 -1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9104 -3.7552 -2.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8419 -1.3969 0.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7811 -1.8815 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 -3.0204 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0973 -1.0179 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 -1.6848 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -1.2727 1.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 0.2958 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9784 -0.2588 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5124 -2.5217 -0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3259 -2.8725 2.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4249 -1.3295 2.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5519 -2.7800 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8176 -2.0059 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 -0.9803 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 -0.3093 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3439 2.8180 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 1.1339 -2.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9388 2.7991 1.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 3.6652 -0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5329 2.4513 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0124 6.0592 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 5.5089 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 4.6565 -1.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 3.5237 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0649 5.1208 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0968 5.0344 0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 9 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 2 3 23 24 1 0 23 25 1 0 19 26 1 0 26 27 2 0 26 6 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 12 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 16 47 1 0 16 48 1 0 18 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 25 58 1 0 25 59 1 0 M END