HMDB0034108 RDKit 3D Tylosin 141144 0 0 0 0 0 0 0 0999 V2000 2.7085 1.7731 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1595 2.6376 -0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 1.8644 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 1.2768 0.9736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.4297 1.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 2.2835 1.4932 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6853 0.4362 2.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -0.0399 2.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3367 0.7447 1.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7561 -1.5084 2.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4112 -2.2225 3.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4451 -1.8543 0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1543 -0.8064 0.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5138 -0.9560 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2423 -0.0525 0.9315 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5671 -0.3789 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8575 -1.8412 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1114 0.1128 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3821 -0.4447 -0.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3968 0.4959 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4160 0.2124 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2338 1.4925 0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5296 2.4515 1.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4815 1.2121 1.3152 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3548 2.1593 -0.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5998 2.7749 -0.6541 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2715 1.1469 -1.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4359 0.1922 -1.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0524 0.4816 -1.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1929 -0.2117 -1.5686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8369 0.9957 -2.2581 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9543 1.6711 -2.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0059 1.8907 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9653 -0.9784 -1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8961 -0.6033 -2.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 -2.6335 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6736 -4.1151 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0879 -4.6480 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2727 -5.8082 0.2832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -2.0850 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 -2.2520 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2289 -3.5487 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0165 -1.9848 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 -1.4483 -2.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4106 -2.2837 -0.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2332 -2.0085 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0071 -1.2912 1.3445 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 -2.1324 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -0.0054 1.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 1.0358 0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 1.9808 0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0402 1.4478 0.5525 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4155 0.9162 -0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9196 -0.3488 -0.5068 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9997 -0.4216 0.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 -1.8639 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1776 0.4170 -0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7003 -0.1303 -1.2338 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6748 1.8372 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6824 2.6358 -0.8235 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9368 3.6779 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5497 1.7381 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0109 0.9662 -2.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8953 1.6007 -3.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9278 1.0815 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5487 1.1494 -2.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2191 2.3638 -2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0492 3.1993 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3543 3.4118 -0.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6705 2.6784 1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7555 0.9240 3.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -0.4445 2.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 0.1616 3.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9829 1.3687 1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 -1.9367 2.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4073 -1.7146 3.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 -2.0231 4.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -3.3056 3.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -2.5936 1.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7465 -1.9562 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1049 0.2082 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2551 -2.1562 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7028 -2.4343 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9474 -1.8877 1.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2881 1.2083 -0.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9910 1.5347 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9516 0.0124 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0493 -0.6413 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9150 3.1740 1.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8599 1.9384 2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2997 3.0736 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4160 0.9093 2.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5799 2.9303 -0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5170 3.7756 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3318 1.7247 -2.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0164 0.2207 -0.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1965 0.4651 -2.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1277 -0.8576 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8164 -0.7936 -2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4735 2.3686 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 2.2412 -3.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6467 0.8596 -3.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7313 2.7944 -2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 1.4530 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6112 2.2864 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1336 -2.0551 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2451 -0.2322 -2.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3179 -2.5759 -1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 -4.2802 1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 -4.7082 -0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -3.9565 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7894 -2.3882 -1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 -0.9664 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -1.4560 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0666 -4.4531 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8683 -3.6544 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3588 -3.5725 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 -2.8256 -1.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 -2.4126 -0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 -1.4129 3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9441 -2.8672 2.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -2.6290 2.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 0.3672 2.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7289 0.6143 -0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6685 2.9420 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6973 2.2887 1.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6044 0.9239 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7226 -0.1341 1.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6794 -2.5770 0.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9612 -2.1131 -0.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 -1.8865 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9238 0.3687 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6952 -0.1977 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3237 2.2043 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0478 4.3139 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2909 3.2721 1.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 4.3614 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1956 2.6921 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2961 0.8809 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4870 2.5211 -3.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 1.7503 -3.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 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 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 18 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 30 34 1 0 34 35 1 0 12 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 36 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 2 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 59 62 1 0 62 63 1 0 63 64 1 0 50 3 1 0 62 53 1 0 34 14 1 0 29 20 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 14 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 23 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 25 93 1 0 26 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 28 98 1 0 30 99 1 0 32100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 40112 1 0 40113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 45118 1 0 46119 1 0 48120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 53127 1 0 55128 1 0 56129 1 0 56130 1 0 56131 1 0 57132 1 0 58133 1 0 59134 1 0 61135 1 0 61136 1 0 61137 1 0 62138 1 0 64139 1 0 64140 1 0 64141 1 0 M END