HMDB0014756 RDKit 3D Demeclocycline 53 56 0 0 0 0 0 0 0 0999 V2000 -3.7475 -2.1718 -0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8435 -1.7581 0.8372 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 -1.7219 2.1662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0151 -0.6252 0.5101 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9305 0.5163 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8704 0.7442 1.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9396 1.3226 -0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9011 2.4250 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8662 2.6678 0.1807 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8549 3.1520 -1.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 1.0836 -1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 1.6550 -2.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 0.1667 -1.5736 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5904 -0.4197 -2.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3657 1.0260 -1.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 2.4072 -1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4861 0.4786 -0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 1.3094 -0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5931 2.5013 -0.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8575 0.7280 -0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9726 1.5096 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0926 2.8329 -0.0749 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0806 0.9114 0.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0422 -0.4205 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -1.1667 0.9057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 -2.8601 1.3700 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7821 -0.6071 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 -1.4989 0.1130 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2486 -1.9306 1.4001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -0.9597 -0.6488 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2492 -1.3674 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 -0.8826 -0.5685 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0190 -1.3582 -0.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4403 -3.1013 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -2.4296 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4323 -1.3691 2.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3483 -2.7162 2.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -1.0153 2.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4801 -0.3716 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 1.1878 2.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6188 3.0564 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8651 2.4518 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 -0.1579 -3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6898 2.8033 -2.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4466 3.4277 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9715 1.5240 1.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9412 -0.8462 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -2.4436 -0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 -1.1131 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -1.4592 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -0.8730 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 -2.4507 0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4116 -1.7931 -1.1260 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 1 0 15 17 2 0 17 18 1 0 18 19 2 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 1 0 25 27 2 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 4 1 0 32 13 1 0 30 17 1 0 27 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 1 6 40 1 0 9 41 1 0 9 42 1 0 14 43 1 0 16 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 28 48 1 6 29 49 1 0 30 50 1 6 31 51 1 0 31 52 1 0 32 53 1 6 M END