HMDB0029880 RDKit 3D Neotrehalose 45 46 0 0 0 0 0 0 0 0999 V2000 -4.1025 2.3120 1.5202 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6178 2.4465 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9427 1.2012 -0.2574 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8673 0.8514 0.5378 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.1130 -0.1687 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0705 -0.2648 0.5153 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 0.0008 -0.2960 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9052 0.9807 0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 1.0689 0.0700 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5489 1.7293 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 3.0232 -1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 -0.2165 0.1891 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0777 -0.1219 1.0721 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 -1.2888 0.6446 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6438 -2.5265 0.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 -1.3162 -0.4159 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0992 -2.4115 -0.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8661 -1.4236 -0.0868 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7828 -2.1191 -1.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3304 -1.2258 0.2187 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5847 -1.2216 1.5960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8796 0.0376 -0.3975 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1477 -0.2289 -1.7439 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6888 3.0024 2.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4702 2.6790 -0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 3.2642 0.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5253 1.4297 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 0.1879 -1.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 0.2739 -1.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6771 1.7691 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 1.8775 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 1.1595 -2.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 3.3702 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -0.5205 -0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3786 -1.0599 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 -0.9416 1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3635 -2.9063 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4452 -1.3992 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2611 -2.8815 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4638 -2.0783 0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7591 -3.0906 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 -2.0728 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4953 -1.5905 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8263 0.2798 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3320 0.0746 -2.2393 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 9 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 5 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 3 1 0 16 7 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 6 5 28 1 6 7 29 1 6 9 30 1 1 10 31 1 0 10 32 1 0 11 33 1 0 12 34 1 6 13 35 1 0 14 36 1 1 15 37 1 0 16 38 1 6 17 39 1 0 18 40 1 1 19 41 1 0 20 42 1 6 21 43 1 0 22 44 1 1 23 45 1 0 M END