HMDB0036152 RDKit 3D Alkhanol 41 43 0 0 0 0 0 0 0 0999 V2000 0.6746 2.7018 0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 1.3330 0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3978 0.2939 0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9979 0.5521 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2941 0.1124 1.8374 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 -0.1673 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 -0.3684 2.9082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2150 -0.1814 0.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8622 1.1463 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9096 -0.2449 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 -1.6903 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 -1.9581 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 -1.0561 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3553 -1.6805 1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0483 -0.9399 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5012 -2.1847 -1.5725 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1556 -0.1040 -0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6331 1.2794 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 2.0404 0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 3.0224 -0.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 3.4297 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 2.6738 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 1.6168 0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 -1.0428 0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 1.9537 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 1.1066 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5913 1.3919 -0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 0.2506 -1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 -2.1847 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 -2.1367 -1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -3.0087 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0538 -2.0043 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8915 -2.6212 0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -1.9165 1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -0.9672 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6685 -0.3406 -2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4598 -2.2038 -2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 -0.0834 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5691 -0.5493 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6953 1.7762 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5583 2.9537 0.1816 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 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 2 1 0 13 3 1 0 10 4 1 0 1 20 1 0 1 21 1 0 1 22 1 0 4 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 M END