HMDB0304550 RDKit 3D DIBOA dihexose 66 69 0 0 0 0 0 0 0 0999 V2000 -8.1614 1.6754 1.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3899 0.5415 1.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3328 0.5964 0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9937 1.7672 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9531 1.8169 -1.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1931 0.6827 -1.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 -0.4784 -0.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5934 -0.5271 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7965 -1.6245 -1.2545 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4843 -1.5495 -1.8122 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5228 -1.3508 -0.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6246 -2.4320 -0.7309 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7620 -3.0611 0.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -2.4230 1.5475 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6867 -1.0451 1.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0023 -0.5375 2.9236 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -2.4052 1.3321 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8818 -3.6586 1.3532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 -1.6922 0.0371 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7769 -0.3160 0.2363 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 0.1428 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 1.0330 -0.9841 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3257 1.5677 -1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2807 0.5617 -1.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5148 1.1512 -2.1301 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9738 2.2697 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0962 3.6531 -0.3149 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1852 2.1044 1.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2305 3.1152 1.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 0.7362 1.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -0.0735 1.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 -2.0596 -1.0981 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3541 -3.1070 -1.8477 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3949 -0.4475 -2.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -0.5447 -3.8561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1239 0.7419 -2.5413 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 1.9209 -3.1683 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7880 2.0223 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7162 1.5732 2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4237 2.5113 1.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 2.6600 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6659 2.7261 -1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8262 -1.4851 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3254 -2.5574 -2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -3.1786 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3609 -3.0625 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7784 -1.0827 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -0.3660 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 0.4566 2.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7592 -1.8074 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3058 -4.3497 1.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 -2.0513 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 -0.7174 -0.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1677 2.3497 -2.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 -0.3262 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 0.1747 -2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 0.6944 -1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0059 1.8885 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0258 3.9564 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 2.2703 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 3.9256 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 0.7676 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4431 -1.0065 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6989 -1.1837 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -3.9429 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1385 2.3958 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 7 9 1 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 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 19 32 1 0 32 33 1 0 10 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 8 3 1 0 32 12 1 0 36 6 1 0 30 21 1 0 1 38 1 0 1 39 1 0 1 40 1 0 4 41 1 0 5 42 1 0 8 43 1 0 10 44 1 6 12 45 1 6 14 46 1 1 15 47 1 0 15 48 1 0 16 49 1 0 17 50 1 1 18 51 1 0 19 52 1 6 21 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 29 61 1 0 30 62 1 0 31 63 1 0 32 64 1 6 33 65 1 0 37 66 1 0 M END