HMDB0006557 RDKit 3D ADP-glucose 63 66 0 0 0 0 0 0 0 0999 V2000 -10.0029 0.5276 -1.7002 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9908 -0.1381 -0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3032 -0.9835 -0.0061 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3336 -1.5796 0.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0205 -1.3358 0.5414 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6955 -0.4977 -0.4418 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6602 0.1071 -1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0079 0.9003 -2.0866 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6814 0.8034 -1.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4579 -0.0611 -0.8193 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 -0.2540 -0.1994 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2635 -1.1651 -0.4832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3052 -0.6529 0.4176 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9267 -1.1074 0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 -0.8269 -0.9790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 0.7189 -1.0540 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8213 1.4495 -2.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.5774 0.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6436 0.7716 -1.8077 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 1.5765 -0.7600 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9639 2.6350 -0.0285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 2.2680 -1.6061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3371 0.4302 0.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 0.1410 0.0289 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4093 0.3662 1.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7617 0.4583 0.8871 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1493 1.8057 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5248 1.7365 0.0368 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 -0.6084 -0.0646 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4050 -1.1406 0.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 -1.7596 -0.2097 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5625 -2.4198 -1.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8066 -1.3195 -0.3015 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0850 -2.0376 0.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 -0.6590 1.7425 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6950 0.4757 2.5161 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 -0.5791 1.3153 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0652 0.5199 1.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5442 0.2054 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2385 1.5066 -1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6704 -2.2547 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 1.3147 -2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6799 0.7585 -0.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 0.4837 0.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2621 -0.6791 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8974 -2.2269 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0069 1.1748 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7849 3.2097 -1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9511 0.7822 -0.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2838 0.3877 1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0342 2.5968 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6386 2.0480 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7147 2.3562 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4869 -0.2224 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7612 -1.8207 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4046 -2.4789 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 -3.3669 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -1.5015 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5511 -1.8407 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 -1.5736 2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 1.2486 1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8695 -1.5578 1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9927 1.3073 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 13 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 7 2 1 0 37 11 1 0 10 6 1 0 33 24 1 0 1 39 1 0 1 40 1 0 4 41 1 0 9 42 1 0 11 43 1 1 13 44 1 6 14 45 1 0 14 46 1 0 18 47 1 0 22 48 1 0 24 49 1 6 26 50 1 1 27 51 1 0 27 52 1 0 28 53 1 0 29 54 1 6 30 55 1 0 31 56 1 1 32 57 1 0 33 58 1 6 34 59 1 0 35 60 1 1 36 61 1 0 37 62 1 6 38 63 1 0 M END