HMDB0014542 RDKit 3D Sorafenib 48 50 0 0 0 0 0 0 0 0999 V2000 6.9409 2.8363 -1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 1.5732 -1.5126 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 0.5938 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 0.8209 0.0442 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -0.6802 -0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 -1.0365 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -2.2741 -0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1119 -2.5378 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 -2.1735 -0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3172 -0.9429 -1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.6066 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 -1.4966 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8124 -1.2811 0.7595 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7142 -0.2419 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 0.5213 -0.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9519 -0.0730 1.0694 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8937 0.9219 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.9805 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 2.9257 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9549 2.7806 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2462 3.9494 0.1335 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.1214 1.7291 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4455 1.6525 1.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5259 0.5860 2.8057 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.4160 1.5295 0.9694 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.6047 2.8700 2.6218 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 0.8265 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 -2.7591 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -3.0728 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8166 -3.1758 0.0469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 -2.7767 0.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5395 -1.5872 0.4533 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2144 3.6893 -1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4049 2.8401 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7246 2.9127 -0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 1.4099 -2.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4267 -0.3370 -1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8536 -0.2398 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2696 0.3898 -0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1408 -1.9219 1.5581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1348 -0.7859 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8338 2.0958 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 3.7119 -0.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 0.0120 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4977 -3.5052 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -4.0588 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3384 -4.1273 0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 -3.4670 1.3905 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 3 5 1 0 5 6 2 0 6 7 1 0 7 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 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 22 27 2 0 12 28 1 0 28 29 2 0 7 30 2 0 30 31 1 0 31 32 2 0 32 5 1 0 29 9 1 0 27 17 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 6 37 1 0 10 38 1 0 11 39 1 0 13 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 27 44 1 0 28 45 1 0 29 46 1 0 30 47 1 0 31 48 1 0 M END