HMDB0259212 RDKit 3D Triflusal 24 24 0 0 0 0 0 0 0 0999 V2000 3.4243 1.6869 0.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0437 1.0640 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5171 0.9992 2.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 0.5934 -0.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 0.0384 -0.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 0.8787 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 0.3108 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4097 1.1614 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 0.6503 1.0806 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 2.4585 0.4279 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 1.2259 -1.1100 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3897 -1.0301 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 -1.8416 -0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -1.2848 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1505 -2.1341 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 -3.3677 -1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4748 -1.8620 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6538 2.1238 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3408 2.5286 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1008 0.8795 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 1.8782 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 -1.4780 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 -2.8899 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 -2.5893 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 7 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 15 17 1 0 14 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 6 21 1 0 12 22 1 0 13 23 1 0 17 24 1 0 M END