HMDB0014733 RDKit 3D Oxytetracycline 57 60 0 0 0 0 0 0 0 0999 V2000 -3.0887 -2.4706 -0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6656 -1.9207 0.5261 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4347 -2.3657 1.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4811 -0.4969 0.5132 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6802 0.2726 0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 -0.2675 0.1934 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5684 1.5711 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7643 2.3738 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 3.7515 -0.5382 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8741 1.8221 -0.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 2.1604 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0809 3.2947 0.5089 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1192 1.3313 -0.5612 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1845 1.5913 -1.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1829 1.8944 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 3.0862 0.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4069 1.0653 -0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5661 1.5629 0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6846 2.9249 0.4610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 0.7151 0.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 1.3012 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 2.6626 0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0790 0.5337 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 -0.8251 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7241 -1.3924 0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 -0.6230 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2821 -1.2872 -0.2607 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5028 -2.1405 -1.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0942 -2.1661 0.8354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 -0.3749 -0.4471 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0941 -0.7108 0.3599 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2562 -2.0875 0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 -0.1176 -0.3589 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3224 -3.0779 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9445 -3.1480 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -1.6501 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -3.2918 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -2.6608 2.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 -1.6380 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1582 -0.2313 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4629 -0.4492 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 4.0842 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 4.4647 -0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 1.5573 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4102 3.3675 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9486 3.0903 0.9663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0646 0.9745 0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8748 -1.4035 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6934 -2.4547 -0.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 -3.0461 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0037 -1.4718 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5617 -2.4654 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2541 -1.6633 1.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8915 -0.3833 -1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0354 -0.1912 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 -2.3345 1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -0.6464 -1.3398 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 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 7 11 1 0 11 12 2 0 11 13 1 0 13 14 1 6 13 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 1 1 27 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 4 1 0 33 13 1 0 30 17 1 0 26 20 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 4 40 1 1 6 41 1 0 9 42 1 0 9 43 1 0 14 44 1 0 19 45 1 0 22 46 1 0 23 47 1 0 24 48 1 0 25 49 1 0 28 50 1 0 28 51 1 0 28 52 1 0 29 53 1 0 30 54 1 6 31 55 1 1 32 56 1 0 33 57 1 6 M END