HMDB0244472 RDKit 3D Sapanisertib 38 41 0 0 0 0 0 0 0 0999 V2000 -3.9294 -2.1426 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2404 -0.9697 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 0.1070 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -0.4289 0.8412 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -0.3323 1.1206 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2086 0.2203 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 0.4580 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7705 1.6887 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 1.8099 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9586 0.7196 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2694 0.5742 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6370 -0.6463 0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 -1.1640 0.4042 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4746 -1.3425 0.4667 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4339 -0.5158 0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0656 -0.6229 0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1068 0.4931 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 1.0350 -2.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2568 1.4471 -2.7175 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 1.1404 -2.8897 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3386 0.7436 -2.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 0.2156 -1.1812 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3324 0.0717 -0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7199 -1.8009 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1714 -2.7557 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3652 -2.7563 1.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 -1.3515 2.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2554 -0.3526 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 0.9717 1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1165 0.3847 3.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1159 2.5557 -0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5785 2.7738 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5544 -0.8521 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2913 -1.8452 -0.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6419 -1.6011 0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4648 2.4671 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 0.7706 -3.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 0.8323 -3.0075 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 4 1 0 16 7 1 0 23 17 1 0 15 10 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 8 31 1 0 9 32 1 0 13 33 1 0 13 34 1 0 16 35 1 0 19 36 1 0 19 37 1 0 21 38 1 0 M END