HMDB0062702 RDKit 3D N,N'-diacetylchitobiose 57 58 0 0 0 0 0 0 0 0999 V2000 0.1566 1.9160 4.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 2.7113 3.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 3.9456 3.3049 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8337 2.0734 2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1021 2.7460 0.8853 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5671 2.5354 0.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4072 2.9163 1.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7528 1.2522 0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9866 0.8061 -0.9429 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4817 1.4717 -2.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 1.1260 -2.4206 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 1.0061 -0.7288 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1401 -0.0409 -0.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 -0.7072 -0.9841 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2808 -0.6367 -0.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -1.0067 0.7719 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4678 0.1745 1.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7292 -0.2493 3.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 -2.1683 1.2085 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3326 -3.0428 2.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 -2.9443 0.0244 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2487 -3.9414 0.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -2.1409 -1.0787 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0643 -2.6811 -2.3505 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -3.2319 -3.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 -3.7898 -4.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0467 -3.2440 -3.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 2.3721 -0.2542 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3998 3.3454 -1.2504 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 2.4154 5.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 1.9089 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0799 0.8577 4.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 1.0345 2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9648 3.8450 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 3.2259 -0.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 3.4554 1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1611 -0.3149 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 2.5631 -2.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8504 1.1435 -3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9644 0.1675 -2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 0.9834 -1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -0.2261 -2.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -1.3844 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2255 0.9469 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4896 0.7107 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6821 -0.1682 3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7955 -1.7673 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 -2.5662 2.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0261 -3.5333 -0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 -3.5341 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 -2.2351 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 -2.6379 -2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2434 -4.6884 -4.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1114 -3.0662 -5.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2668 -4.1649 -5.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8426 2.4546 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3588 4.0015 -1.2040 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 1 0 25 27 2 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 1 6 35 1 0 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 6 24 52 1 0 26 53 1 0 26 54 1 0 26 55 1 0 28 56 1 1 29 57 1 0 M END