HMDB0000055 RDKit 3D Cellobiose 45 46 0 0 0 0 0 0 0 0999 V2000 3.3309 3.1106 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8681 1.8264 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9234 0.8488 0.6591 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7562 0.8385 -0.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9013 -0.2167 0.2525 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1979 -0.0650 -0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 -0.0324 0.0976 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3925 -1.0811 -0.2961 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4082 -1.2915 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -1.4531 2.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9888 -0.9226 -1.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1027 0.3317 -2.0113 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2614 0.4426 -2.7949 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 1.4377 -1.0125 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9913 2.6448 -1.7137 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 1.3719 -0.0074 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4856 1.8336 1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 -1.4808 -0.1454 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8482 -2.5948 -0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7418 -1.6433 0.9002 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4475 -2.8135 0.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 -0.4631 0.7581 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5355 -0.3776 1.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3853 3.0330 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 1.8300 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 1.5422 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8040 1.2495 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -0.3039 1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 -0.1527 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8322 -2.0566 -0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9870 -2.2225 0.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0836 -0.4180 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7128 -0.5860 2.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2537 0.5154 -2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0264 0.0279 -2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1369 1.4818 -0.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5779 2.5053 -2.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 2.0742 -0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 1.8776 1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1779 -1.2419 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3267 -3.2725 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.6460 1.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 -2.6026 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2701 -0.6041 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 -1.2810 2.1211 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 8 11 1 0 11 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 1 5 28 1 1 7 29 1 1 8 30 1 6 9 31 1 0 9 32 1 0 10 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 6 19 41 1 0 20 42 1 1 21 43 1 0 22 44 1 6 23 45 1 0 M END