HMDB0254968 RDKit 3D Mycobactins 79 81 0 0 0 0 0 0 0 0999 V2000 -8.4984 4.9613 -0.3157 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4742 4.4938 -0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2708 5.2152 -0.9582 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1871 6.4429 -0.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 4.6530 -1.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 3.8841 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 3.2609 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 2.5099 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 1.8573 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 1.0602 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2493 0.0047 0.9125 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 -0.6205 0.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7799 -0.3186 -0.8121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0933 -1.7158 1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7229 -1.1539 2.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0347 -1.6895 2.1955 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2647 -2.1354 0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5791 -2.5160 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7051 -2.4629 1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9253 -2.8305 0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0810 -3.2615 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9696 -3.3191 -1.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7365 -2.9512 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6068 -3.0072 -1.7151 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1908 -2.1588 0.2162 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 0.5607 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 -0.6889 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8212 1.4249 -0.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 1.0023 -0.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8717 0.3154 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2046 -0.1295 -0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 0.1113 -1.6487 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 -0.8020 0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4067 -1.2635 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5383 -2.7617 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7651 -3.1733 -0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 -3.1306 0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6757 -1.8074 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8850 -0.7190 0.6837 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6051 0.3181 1.1666 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4925 -0.5565 0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0681 0.3273 1.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5252 3.5063 -1.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 6.5016 0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 3.9857 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5108 5.4706 -2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9874 3.1205 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0052 4.5500 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 4.0570 -1.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4359 2.5905 -1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9713 1.8623 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9536 3.3203 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 2.6922 -0.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 1.1762 -1.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2772 1.8340 1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9694 -0.3695 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 -2.5849 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2642 -1.5218 3.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7523 -0.0414 2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5420 -2.1177 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8037 -2.7819 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0665 -3.5432 -0.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1004 -3.6623 -2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7002 -3.3220 -2.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 1.8710 -1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9444 0.3425 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3105 -0.5476 0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 1.0338 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8177 -0.9737 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -1.0013 -1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6479 -3.0458 1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -3.2673 -0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9528 -2.5012 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6587 -4.2088 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6047 -3.9846 0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5825 -3.2611 1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6836 -1.8873 0.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8691 -1.6037 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4655 1.0827 0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 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 1 0 11 12 1 0 12 13 2 0 12 14 1 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 22 23 2 0 23 24 1 0 17 25 2 0 10 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 2 0 25 14 1 0 41 34 1 0 23 18 1 0 2 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 6 48 1 0 7 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 19 60 1 0 20 61 1 0 21 62 1 0 22 63 1 0 24 64 1 0 29 65 1 0 29 66 1 0 30 67 1 0 30 68 1 0 33 69 1 0 34 70 1 0 35 71 1 0 35 72 1 0 36 73 1 0 36 74 1 0 37 75 1 0 37 76 1 0 38 77 1 0 38 78 1 0 40 79 1 0 M END