HMDB0014643 RDKit 3D Tolmetin 34 35 0 0 0 0 0 0 0 0999 V2000 -5.7804 0.7470 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4037 0.1666 0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 0.9552 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 0.4899 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 -0.7944 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -1.2784 -0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1511 -2.5076 -0.1714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -0.3514 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6957 0.8833 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9327 1.4697 -0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 0.5829 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0967 0.7607 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0133 0.4644 -0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 0.1810 -1.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 0.4939 -0.5134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 -0.5183 0.3128 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4471 -1.6506 1.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8322 -1.5812 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 -1.1095 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 1.8578 0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3196 0.5048 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3985 0.4038 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 1.9485 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2165 1.1302 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.3672 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 2.4305 -1.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3357 0.0078 1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 1.7953 0.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9194 1.3445 -0.4682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 -1.3036 2.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2659 -2.1232 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6511 -2.3971 1.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.6072 -0.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9802 -1.7625 -0.5949 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 5 18 1 0 18 19 2 0 19 2 1 0 16 8 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 4 24 1 0 9 25 1 0 10 26 1 0 12 27 1 0 12 28 1 0 15 29 1 0 17 30 1 0 17 31 1 0 17 32 1 0 18 33 1 0 19 34 1 0 M END