HMDB0253336 RDKit 3D Ibuproxam 35 35 0 0 0 0 0 0 0 0999 V2000 3.3258 -0.9085 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4796 0.0123 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9055 0.5699 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 1.2140 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 0.8285 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 0.6767 -1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9127 0.3207 -1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 0.0945 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0437 -0.2907 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2149 -1.6475 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9028 0.6992 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 1.0474 -1.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8491 1.2850 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1112 1.0275 1.3249 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 0.2428 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 0.6022 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0748 -0.4114 2.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3190 -1.4119 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 -1.7598 0.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -0.5430 -1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6345 -0.2232 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 1.4304 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 0.8921 1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7864 1.8068 -0.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 1.8930 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9849 0.8600 -2.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 0.2106 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3492 -0.4082 1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7798 -2.4147 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6314 -1.6780 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2785 -1.8235 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7921 0.3573 -2.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8771 0.3873 1.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 0.0833 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 0.7064 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 3 13 14 1 0 8 15 1 0 15 16 2 0 16 5 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 M END