HMDB0037043 RDKit 3D Melledonal B 59 62 0 0 0 0 0 0 0 0999 V2000 3.1132 -1.7031 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 -1.0700 0.4524 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5528 -1.7936 0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5044 -3.4257 1.2708 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7343 -1.2257 0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 -1.9074 0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7093 0.0453 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 0.7399 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5305 2.0271 -0.9971 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3102 0.2011 -0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0968 0.9747 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1938 2.1388 -0.6949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 0.6180 0.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6836 1.4046 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2424 1.5754 1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 1.5251 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 2.8826 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 0.6985 0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6784 0.7692 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2352 1.0939 -1.6959 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3532 -0.5807 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -1.1147 -1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7715 -0.4935 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5641 -1.4604 0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2343 -0.7407 0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8592 -0.9952 2.1147 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 -1.3135 -0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 -0.5838 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4358 -1.2679 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4903 -2.5319 -1.8634 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 0.8876 -0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 1.4378 -2.1536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3288 -2.6667 1.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5552 -2.0093 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -1.0652 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7961 -1.4810 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6637 0.4737 -0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3663 2.4907 -1.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 2.4048 -0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1787 2.5838 1.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.7583 1.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9418 3.0275 -0.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 3.6454 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 3.0293 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9039 1.1311 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4255 1.5426 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0644 1.3470 -2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0862 -0.5087 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3758 -0.9687 -2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6026 -2.1792 -1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5176 -0.3624 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8465 0.3643 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0017 -1.4615 0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4013 -2.4422 0.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 -1.6236 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3729 -0.4406 2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2184 -2.3902 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1164 -0.7287 -2.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3058 0.7177 -2.8054 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 3 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 28 31 1 0 31 32 1 0 10 2 1 0 31 14 1 0 31 16 1 0 25 18 1 0 1 33 1 0 1 34 1 0 1 35 1 0 6 36 1 0 7 37 1 0 9 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 26 56 1 0 27 57 1 0 29 58 1 0 32 59 1 0 M END