HMDB0251597 RDKit 3D Dovitinib 50 54 0 0 0 0 0 0 0 0999 V2000 6.3655 1.4784 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5916 0.0954 -0.0105 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2174 -0.7875 -1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9838 -1.6110 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -0.8552 -0.1073 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5681 -0.9796 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0517 -1.9346 -1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 -1.9880 -1.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -1.1249 -0.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 -0.9446 -0.7972 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 0.0802 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 0.5718 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3036 -0.0542 -0.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9788 -1.1312 -1.2375 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 0.3663 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6301 -0.2608 -0.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3682 -1.2932 -1.6482 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.9534 0.1531 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1574 1.2209 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1175 1.8461 0.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8089 1.4218 0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7752 2.0184 1.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5114 1.6054 1.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 2.2097 1.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 0.5356 0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 -0.1799 0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 -0.1180 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3852 0.0903 0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -0.1814 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2772 1.8628 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 1.5403 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 2.1051 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0758 -0.2728 -2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0434 -1.5358 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 -2.0079 -1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 -2.4811 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -2.6353 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3089 -2.7404 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6464 -0.9586 -2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 -2.1047 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7733 -0.3353 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1724 1.5306 0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3364 2.6667 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9946 2.8249 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5769 1.3233 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 0.6318 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1188 0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7618 -0.0920 1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1685 0.5428 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9434 -1.2321 1.4867 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 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 11 25 1 0 25 26 1 0 26 27 2 0 5 28 1 0 28 29 1 0 29 2 1 0 27 6 1 0 26 9 1 0 23 12 1 0 21 15 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 7 37 1 0 8 38 1 0 14 39 1 0 14 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 25 45 1 0 27 46 1 0 28 47 1 0 28 48 1 0 29 49 1 0 29 50 1 0 M END