HMDB0254146 RDKit 3D Lodoxamide 27 27 0 0 0 0 0 0 0 0999 V2000 1.1898 2.5684 3.6728 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 1.9276 2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 1.1353 1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7884 0.9316 1.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.1886 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 -0.0337 -0.1332 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 0.4214 0.5177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7016 1.1188 1.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 0.0456 -0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -0.6716 -1.0932 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1425 0.4609 0.5468 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 -0.3365 -0.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -1.2953 -1.9516 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -0.1542 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 -0.7424 -1.1135 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 -0.6517 -0.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1327 -0.0209 -0.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4264 -1.3361 -1.9537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 -1.9639 -2.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7873 -1.2395 -1.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.5901 0.8238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5600 1.3746 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6493 -0.6369 -1.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -0.0174 0.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 -1.3175 -1.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 -1.1383 -0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5713 0.7929 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 5 12 2 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 18 20 1 0 14 21 2 0 21 3 1 0 4 22 1 0 6 23 1 0 11 24 1 0 15 25 1 0 20 26 1 0 21 27 1 0 M END