HMDB0003933 RDKit 3D Pentosidine 53 54 0 0 0 0 0 0 0 0999 V2000 -6.7332 -0.2220 0.5704 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6322 -0.1692 1.4762 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5760 0.8365 1.0681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9869 0.5404 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -0.8193 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 -1.1580 -1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7119 -0.2269 -2.0264 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0518 0.8565 -2.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 1.8026 -3.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 1.5935 -2.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 0.5021 -2.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7245 0.0041 -1.6125 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4943 -1.1371 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4393 -1.9564 -0.2915 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8361 -1.5868 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9868 -0.2937 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4227 0.1793 0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 -0.8165 1.2145 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8882 -1.0475 2.5651 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6856 -0.2530 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2618 -0.0605 2.3164 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3751 0.0777 0.0645 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1637 -1.4345 -0.9806 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -0.4492 -1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 0.2351 2.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3087 0.3515 3.7955 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4582 0.4868 2.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0960 0.6952 0.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6168 -0.9049 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2203 -1.1863 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9606 1.8738 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7657 0.7634 1.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2417 1.3318 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7446 0.6097 -1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -0.8979 0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 -1.5814 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 -2.2139 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 -1.0961 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0955 1.0487 -3.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4657 2.6648 -3.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9263 2.3061 -3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1676 -2.8307 0.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 -2.3957 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1262 -1.4944 -1.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4190 0.4943 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5926 -0.3307 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 0.3512 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 1.1024 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3832 -1.7776 0.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 -0.2993 2.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 -2.0024 2.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5006 0.9924 -0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8443 1.3031 3.4154 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 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 13 23 1 0 23 24 2 0 2 25 1 0 25 26 2 0 25 27 1 0 24 7 1 0 24 11 1 0 1 28 1 0 1 29 1 0 2 30 1 1 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 6 19 50 1 0 19 51 1 0 22 52 1 0 27 53 1 0 M END