HMDB0242106 RDKit 3D delta-CEHC 36 37 0 0 0 0 0 0 0 0999 V2000 -1.3852 -2.1577 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9321 -1.0395 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 -1.1464 -0.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -0.0779 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9729 -0.1579 1.1252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 1.0536 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6424 1.1368 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 0.0854 -0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1219 0.2238 -0.9890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1197 0.9579 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1474 1.4904 -1.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8595 -0.0446 0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -1.1349 -0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1891 -2.0692 0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 -3.0584 0.1435 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1673 -1.8244 2.0239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 2.1185 0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 2.3565 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 -2.6186 -0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9939 -1.8291 -2.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -2.9336 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 -2.0332 -0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 -0.9834 0.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3172 1.8849 1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 0.7918 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0831 1.6463 -0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 2.4763 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6139 0.4391 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0889 -0.5132 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7278 -1.7326 -0.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2401 -0.7800 -0.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9536 -1.4452 2.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 1.9647 1.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 3.0831 0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1534 2.7748 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1616 3.0956 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 10 17 1 0 17 18 1 0 8 2 1 0 18 7 1 0 1 19 1 0 1 20 1 0 1 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 13 30 1 0 13 31 1 0 16 32 1 0 17 33 1 0 17 34 1 0 18 35 1 0 18 36 1 0 M END