HMDB0259780 RDKit 3D VERALIPRIDE 51 52 0 0 0 0 0 0 0 0999 V2000 5.4794 2.2737 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 1.1647 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -0.0498 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0659 -0.5847 -0.9021 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -1.7541 -1.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 -2.8281 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3838 -2.1300 -0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7779 -0.6944 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 0.2827 -0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5067 0.3204 -0.4984 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 -0.2186 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1931 -1.2355 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 0.1955 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 -0.4245 1.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 -0.0718 1.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8089 -0.8984 2.7171 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.5803 -2.2240 1.9109 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9389 -1.4689 3.7983 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8866 -0.0272 3.2732 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 0.9496 0.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4777 1.5852 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 2.6256 -0.9581 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3139 3.0037 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1468 1.2300 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 1.8587 -1.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 1.3680 -2.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 2.2756 -0.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 3.2074 0.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 1.1756 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9926 0.1327 -0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5025 -0.8024 0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4965 -2.0411 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5075 -1.5229 -2.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 -3.3073 -2.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0028 -3.6101 -0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3422 -2.6610 0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4214 -2.2383 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7465 -0.4818 0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 1.3291 -0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7959 0.0140 -2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3324 -2.0776 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0744 -1.2398 1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3770 -1.9149 1.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8771 -2.6496 1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3183 1.2301 0.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9252 2.0704 -0.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 3.3878 0.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6318 3.7749 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2589 1.6178 -3.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4133 0.2641 -2.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 1.8195 -3.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 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 1 0 9 10 1 0 10 11 2 3 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 16 19 2 0 15 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 24 25 1 0 25 26 1 0 8 4 1 0 24 13 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 12 41 1 0 14 42 1 0 17 43 1 0 17 44 1 0 20 45 1 0 23 46 1 0 23 47 1 0 23 48 1 0 26 49 1 0 26 50 1 0 26 51 1 0 M END