HMDB0038111 RDKit 3D Kievitone hydrate 49 51 0 0 0 0 0 0 0 0999 V2000 -5.5825 1.4025 -0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5607 0.9433 -1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2983 0.1745 -2.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 2.0666 -1.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5090 0.0458 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 0.6107 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 -0.3728 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -1.4163 1.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 -1.5704 2.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0479 -2.3085 2.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2977 -2.2007 1.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -3.1228 2.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 -1.1596 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -0.2466 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0739 0.7835 -0.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3583 0.9423 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4310 0.3539 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7516 0.3826 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9669 0.7681 -1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 0.7779 -2.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3195 0.3895 -1.6065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5776 0.3983 -2.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1462 -0.0013 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 -0.0033 0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -0.3918 1.5756 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0279 -1.0144 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 -1.9354 0.5475 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2963 2.2271 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9555 0.5529 0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4804 1.7526 -0.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 -0.2968 -2.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -0.6940 -1.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0334 0.7908 -2.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 2.5445 -2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7921 -0.1387 -1.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9330 -0.9556 -0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 0.9239 1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 1.5050 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0832 -0.9548 2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 -3.1297 2.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1531 -3.1849 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 2.0247 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 0.4437 -1.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4993 0.9754 1.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1296 1.0890 -2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 1.0968 -3.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4092 0.1275 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9786 -0.3198 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -0.6748 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 17 26 1 0 26 27 2 0 14 7 1 0 24 18 1 0 26 13 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 9 39 1 0 10 40 1 0 12 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 19 45 1 0 20 46 1 0 22 47 1 0 23 48 1 0 25 49 1 0 M END