HMDB0254107 RDKit 3D Linsitinib 55 60 0 0 0 0 0 0 0 0999 V2000 5.9164 -2.3411 0.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1337 -0.9676 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4696 -0.6946 0.1775 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2296 -0.7202 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 0.6349 -0.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 0.9023 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 0.0737 0.3151 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 0.6814 0.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 0.0804 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1257 -0.5092 1.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 -1.1144 2.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3773 -1.1262 1.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5631 -1.7146 1.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6322 -1.7037 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 -1.1321 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6745 -1.1004 -1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5235 -0.4976 -2.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5473 -0.4545 -3.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7770 -1.0116 -3.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9443 -1.6131 -1.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9009 -1.6548 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 -0.5598 -0.5677 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3336 -0.5570 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1344 0.0416 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 1.9465 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 3.0189 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7293 2.9903 -0.2093 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 4.1565 -0.9190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 4.2975 -1.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 3.2208 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 2.0594 -0.4356 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4535 0.1594 1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1211 -3.0983 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8541 -2.4282 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5724 -2.5375 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8271 -0.1958 0.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8261 -0.6009 -1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -1.3981 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4768 1.4819 -0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 -0.4892 2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 -1.5819 3.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -2.1613 2.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5606 -2.1712 1.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5519 -0.0479 -2.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 0.0180 -4.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5763 -0.9675 -3.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9137 -2.0503 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0884 -2.1366 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0876 0.4729 -1.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1566 2.8730 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 3.0939 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 5.2404 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3965 3.3027 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6486 -0.2724 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1155 0.8628 1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 15 22 2 0 22 23 1 0 23 24 2 0 8 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 5 32 1 0 32 2 1 0 31 6 1 0 24 9 1 0 31 25 1 0 23 12 1 0 21 16 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 17 44 1 0 18 45 1 0 19 46 1 0 20 47 1 0 21 48 1 0 24 49 1 0 27 50 1 0 27 51 1 0 29 52 1 0 30 53 1 0 32 54 1 0 32 55 1 0 M END