HMDB0249524 RDKit 3D Cabozantinib 61 65 0 0 0 0 0 0 0 0999 V2000 -10.2281 1.8636 -1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5057 0.8864 -0.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1176 0.8002 -0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 1.7456 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 1.7224 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3137 2.6353 -1.8746 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 2.5964 -1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2781 1.6071 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 0.6739 -0.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3679 -0.3657 0.1717 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9831 -0.3983 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4519 -1.0694 -1.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -1.1318 -1.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8196 -0.5210 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -0.5438 -0.6169 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4731 -0.5658 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1203 -0.4237 -1.8884 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 -0.7719 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8378 -0.3329 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 0.3111 -0.9668 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8663 -0.6115 1.0234 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2267 -0.2484 0.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7430 0.5957 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1036 0.9197 -0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9581 0.3815 0.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2569 0.6805 0.8318 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4755 -0.4759 1.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1573 -0.7721 1.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 -2.0921 1.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9513 -0.7645 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2434 0.1548 0.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1047 0.2098 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 0.7173 -0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0593 -0.2345 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4552 -0.1981 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2007 -1.1247 0.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5212 -2.1505 1.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9983 2.8986 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3072 1.6976 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1907 1.6690 -2.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9131 2.5148 -1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4114 3.3414 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 1.5652 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 -1.5465 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2928 -1.6568 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 -0.0878 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5656 -1.1646 1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 1.0481 -0.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4090 1.6069 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1961 -0.8881 2.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7776 -1.4367 2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1734 -2.6509 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -2.7196 0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6687 -0.3522 2.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -0.5903 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9639 0.6313 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5275 0.7361 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5259 -1.0021 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0231 -2.8545 0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6880 -1.7230 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2056 -2.7404 2.3313 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 2 0 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 18 29 1 0 29 30 1 0 14 31 1 0 31 32 2 0 9 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 35 3 1 0 33 5 1 0 32 11 1 0 30 18 1 0 28 22 1 0 1 38 1 0 1 39 1 0 1 40 1 0 4 41 1 0 7 42 1 0 8 43 1 0 12 44 1 0 13 45 1 0 15 46 1 0 21 47 1 0 23 48 1 0 24 49 1 0 27 50 1 0 28 51 1 0 29 52 1 0 29 53 1 0 30 54 1 0 30 55 1 0 31 56 1 0 32 57 1 0 34 58 1 0 37 59 1 0 37 60 1 0 37 61 1 0 M END