HMDB0254011 RDKit 3D Lenvatinib 49 52 0 0 0 0 0 0 0 0999 V2000 -7.8444 0.5948 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1152 -0.0826 -0.2489 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7384 0.1090 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0827 0.9220 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6979 1.0792 -1.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0798 1.8772 -1.9286 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7477 2.0416 -1.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 1.3958 -0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 0.5845 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9433 -0.1044 1.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4233 0.0358 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2329 -0.8297 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -0.6930 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2035 0.2899 1.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.4079 1.3597 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4975 -0.4628 0.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 -1.8325 0.9473 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 0.0350 -0.1710 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2642 -0.7434 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4518 -0.0637 -1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 -0.5045 -2.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3671 1.1452 1.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 2.4060 2.9469 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9798 1.0294 1.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9832 0.4211 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 -0.3979 0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 -0.5458 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7143 -1.3890 1.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9919 -1.5620 1.6542 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0060 -2.0552 2.6783 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4986 0.2019 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9371 0.5106 -1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5963 1.6769 -1.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6426 1.4310 -1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 2.6787 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0726 1.5236 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -1.6153 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -1.3819 -0.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0047 1.1670 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4251 -2.4977 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 -1.7770 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4119 -0.5707 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4953 1.0356 -1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6776 0.2535 -2.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4273 -1.4301 -3.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3639 1.7288 2.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 -0.9032 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4945 -2.1739 2.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5743 -2.9656 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 3 18 19 1 0 19 20 1 0 20 21 1 0 14 22 1 0 22 23 1 0 22 24 2 0 9 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 3 28 30 1 0 27 3 1 0 25 5 1 0 24 11 1 0 21 19 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 15 39 1 0 17 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 24 46 1 0 26 47 1 0 29 48 1 0 30 49 1 0 M END