HMDB0003556 RDKit 3D Chitobiose 55 56 0 0 0 0 0 0 0 0999 V2000 5.5819 0.6750 2.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5931 0.4027 1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5575 1.2282 0.9241 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7398 -0.7146 1.8755 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8174 -0.9212 0.8071 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9960 -2.2721 0.1536 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8871 -2.1773 -0.9224 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -2.7480 -0.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 -1.9040 -0.8869 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4747 -1.4558 -2.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 -2.5919 -2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 -0.7694 0.0188 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8148 -0.7016 0.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 0.4671 -0.1073 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8584 1.1648 0.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 2.3526 0.7425 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3581 2.6729 1.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6132 2.7717 3.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2451 2.5069 -0.4954 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1999 3.8268 -0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 1.6087 -1.6361 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7933 1.4956 -2.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6004 0.2296 -1.0078 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4285 -0.7947 -1.9703 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2858 -1.9144 -1.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 -2.0164 -1.1396 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 -2.9262 -2.9121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3688 -0.8870 1.2845 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1356 0.1366 2.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 -0.1733 3.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4055 1.6426 3.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 0.6377 2.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 -1.3841 2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8949 -0.1182 0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4865 -2.9720 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4546 -2.9848 -0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0418 -2.4601 -1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4279 -0.9126 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.8583 -2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0475 -3.3189 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8975 0.1752 -0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6335 1.1291 -0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6693 3.1489 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0837 1.8436 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9667 3.5812 1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 2.0690 3.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3386 2.3080 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9807 4.0242 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 1.9729 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5721 2.0606 -2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4627 0.0277 -0.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 -0.7349 -2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -3.2770 -3.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 -1.8992 1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0676 -0.2717 3.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 12 28 1 0 28 29 1 0 28 5 1 0 23 14 1 0 1 30 1 0 1 31 1 0 1 32 1 0 4 33 1 0 5 34 1 6 6 35 1 1 7 36 1 0 9 37 1 6 10 38 1 0 10 39 1 0 11 40 1 0 12 41 1 6 14 42 1 6 16 43 1 6 17 44 1 0 17 45 1 0 18 46 1 0 19 47 1 1 20 48 1 0 21 49 1 6 22 50 1 0 23 51 1 1 24 52 1 0 27 53 1 0 28 54 1 1 29 55 1 0 M END