HMDB0256021 RDKit 3D Oxyphenbutazone 44 46 0 0 0 0 0 0 0 0999 V2000 5.8624 -2.2360 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0937 -1.1110 -0.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8535 -0.8576 -0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0134 0.2415 -0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.4630 0.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9617 1.5658 -0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3718 2.6549 -0.8826 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3929 1.2214 -0.1774 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 2.1165 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4312 1.9262 -1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4864 2.7936 -1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6787 3.8640 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 4.0622 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7169 3.1832 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 -0.1175 0.1865 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 -0.8920 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -2.1758 -0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8226 -2.9612 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8365 -2.4767 0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9367 -3.3053 1.1763 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7255 -1.2043 1.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -0.3959 1.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 -0.6575 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 -1.8781 0.3583 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -3.2254 -0.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -2.2363 -0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8547 -2.1309 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6877 -0.2108 -1.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -1.5138 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.5951 0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -1.8401 -0.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -0.0240 -1.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 1.2151 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1796 0.7974 1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 1.1138 -2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2392 2.6975 -2.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5401 4.5414 -0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9243 4.9103 1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0112 3.3614 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -2.5395 -0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 -3.9690 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9731 -3.9453 1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -0.8478 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5721 0.6175 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 2 0 15 23 1 0 23 24 2 0 23 5 1 0 14 9 1 0 22 16 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 10 35 1 0 11 36 1 0 12 37 1 0 13 38 1 0 14 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 M END