HMDB0249857 RDKit 3D Leflutrozole 33 35 0 0 0 0 0 0 0 0999 V2000 -4.0801 -4.5685 -1.8503 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4778 -3.6574 -1.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7108 -2.5256 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0087 -1.7132 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2741 -0.6266 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2278 -0.3325 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4442 0.8226 0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9791 1.0875 1.7930 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9761 0.4339 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 0.2240 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 -0.1391 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6221 -0.3007 1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9689 -0.6763 1.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0757 -0.9874 1.7392 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.0944 2.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 0.2662 1.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 1.9920 -0.2927 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 3.0174 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2542 3.9264 -1.1125 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 3.4334 -1.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 2.2563 -1.3783 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -1.1620 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6689 -2.2366 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -1.9169 -2.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -0.0057 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5155 0.3426 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8374 -0.3049 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 -0.2219 3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8071 0.4244 2.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 3.1574 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1232 3.8804 -2.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 -0.9157 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2231 -2.8790 1.0324 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 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 3 0 12 15 1 0 15 16 2 0 7 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 6 22 1 0 22 23 2 0 23 3 1 0 16 9 1 0 21 17 1 0 4 24 1 0 5 25 1 0 10 26 1 0 11 27 1 0 15 28 1 0 16 29 1 0 18 30 1 0 20 31 1 0 22 32 1 0 23 33 1 0 M END