HMDB0015278 RDKit 3D Cloxacillin 47 50 0 0 0 0 0 0 0 0999 V2000 0.5538 -0.3769 -2.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -0.3462 -2.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0442 -0.3520 -3.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -0.3180 -2.3825 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7069 -0.2864 -1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -0.2570 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6058 0.7777 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 0.7564 2.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3600 -0.2885 2.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3310 -1.3266 1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4589 -1.3128 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4285 -2.6480 -0.8816 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3044 -0.3060 -1.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4894 -0.3104 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0957 -0.2724 1.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 -0.3522 0.1423 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6109 -0.3469 1.4075 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6024 -1.4580 1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3983 -2.6538 1.9358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7027 -0.6457 1.1951 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9811 -0.2013 0.7646 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6774 0.4591 1.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 0.5838 3.0347 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9381 0.9780 1.6326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8137 0.6586 -0.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8113 -0.1067 -1.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8101 1.7898 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1681 1.4128 -0.1278 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 0.5168 1.4452 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0306 0.5493 -2.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6915 -0.3965 -4.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -1.3165 -2.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9572 1.6244 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 1.5839 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0294 -0.2657 3.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0048 -2.1626 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -0.3896 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.2518 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -1.0611 0.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 1.6961 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4554 0.5629 -2.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2983 -1.0699 -1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8776 -0.3195 -1.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 2.4801 0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8461 1.4561 -0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 2.4269 -1.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 1.0864 2.3403 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 5 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 28 29 1 0 13 2 2 0 29 17 1 0 11 6 1 0 29 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 16 37 1 0 17 38 1 1 21 39 1 6 24 40 1 0 26 41 1 0 26 42 1 0 26 43 1 0 27 44 1 0 27 45 1 0 27 46 1 0 29 47 1 1 M END