HMDB0248369 RDKit 3D Amuvatinib 53 58 0 0 0 0 0 0 0 0999 V2000 2.5813 -3.7016 -0.7166 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0282 -2.2503 -0.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -1.1839 -0.0793 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 -1.3782 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -0.1178 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 0.1915 1.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 1.3691 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 2.2691 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9614 1.9869 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2730 0.8077 -1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 3.0231 -1.9098 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9637 4.0222 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1365 3.5032 0.1034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6396 -2.0602 0.0781 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2633 -3.1841 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -3.0062 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -1.8021 0.6945 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4496 -1.7498 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 -2.8347 0.9680 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5575 -2.7947 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2249 -1.6613 0.6661 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5274 -0.5546 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1474 -0.5923 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7483 0.6105 0.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7539 1.4264 -0.1421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8247 2.7606 -0.4899 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0589 3.3749 -0.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2402 2.6726 -0.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1537 1.3434 -0.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9354 0.7222 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 -0.5995 0.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 -0.7570 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -0.2321 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 -2.1293 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 -1.7552 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -0.5046 1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7959 1.5790 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8198 0.5443 -2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9351 4.1420 -1.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3973 4.9824 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7624 -3.0686 -1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 -4.1521 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 -2.8278 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 -3.8685 1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1117 -3.6991 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 3.3297 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1055 4.4207 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1857 3.1575 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0732 0.7996 0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -0.2531 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 0.2183 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5137 -0.5861 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 0.0481 -0.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 2 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 17 31 1 0 31 32 1 0 10 5 1 0 32 14 1 0 13 8 1 0 23 18 1 0 30 25 1 0 30 22 1 0 3 33 1 0 4 34 1 0 4 35 1 0 6 36 1 0 7 37 1 0 10 38 1 0 12 39 1 0 12 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 20 45 1 0 26 46 1 0 27 47 1 0 28 48 1 0 29 49 1 0 31 50 1 0 31 51 1 0 32 52 1 0 32 53 1 0 M END