HMDB0040180 RDKit 3D Pentadecylbenzene 57 57 0 0 0 0 0 0 0 0999 V2000 6.9390 0.9053 2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3016 1.8705 1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8794 1.7583 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 0.5810 0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 -0.7164 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 -1.9743 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6612 -2.1196 -0.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -1.3000 -1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7456 -1.5417 -1.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 -1.2086 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6004 -1.4719 -0.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 -0.6468 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4465 -0.8845 -2.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4085 -0.5539 -1.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2911 0.9009 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 1.2542 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9327 1.1626 1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8718 1.5140 2.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1426 1.9702 1.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4400 2.0617 0.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5016 1.7105 -0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2661 0.4596 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6307 0.1694 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 1.5072 2.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4587 2.9173 1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8990 1.9041 0.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6084 2.7023 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2130 1.8969 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 0.5614 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 0.7982 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 -0.6195 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -0.7953 1.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -2.7827 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7729 -2.2660 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 -3.2041 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 -1.9489 0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3900 -0.2558 -1.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7488 -1.7487 -2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6288 -2.5758 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 -0.8532 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0715 -1.7280 0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 -0.1186 -0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -1.2038 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 -2.5377 -1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7466 0.3961 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4081 -0.9905 -3.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6877 -0.3331 -3.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5462 -1.9640 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4353 -0.6776 -1.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3383 -1.2476 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 1.0647 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 1.5122 -1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 0.8081 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6505 1.4466 3.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8530 2.2369 2.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4230 2.4144 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7411 1.7843 -1.3651 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 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 16 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 M END