HMDB0014878 RDKit 3D Riluzole 20 21 0 0 0 0 0 0 0 0999 V2000 4.6676 0.6641 -0.3307 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2369 0.5187 -0.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -0.5689 -0.2216 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2064 -0.5045 -0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3109 -1.5769 -0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -1.3818 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 -0.1469 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9733 -0.0376 -0.6346 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 0.2386 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 1.4420 1.0398 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1461 0.3058 -0.0914 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8636 -0.7380 1.3882 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 0.8949 -0.6821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 0.7129 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0325 1.7074 -0.6775 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 0.3209 0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 1.1021 -1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 -2.5951 0.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7112 -2.2313 -0.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1197 1.8736 -0.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 7 13 1 0 13 14 2 0 14 15 1 0 15 2 1 0 14 4 1 0 1 16 1 0 1 17 1 0 5 18 1 0 6 19 1 0 13 20 1 0 M END