HMDB0244489 RDKit 3D 4-(2-Hydroxy-3-(tert-butylamino)propoxy)-3-iodo-1H-indole-2-carbonitrile 42 43 0 0 0 0 0 0 0 0999 V2000 -4.4993 0.1326 1.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4102 -0.4549 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -1.9631 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6683 0.0761 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1442 -0.3281 0.7174 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 0.9072 0.9883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1345 1.7330 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 2.9433 0.1969 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0723 1.0188 -1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0932 0.7895 -0.2207 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1976 0.1278 -0.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1394 -0.2999 -2.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2290 -0.9539 -2.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -1.1756 -1.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4032 -0.7406 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 -0.8313 0.4351 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9313 -0.2468 1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6629 -0.1305 2.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2574 -0.0152 3.8079 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 0.2285 1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4323 1.2422 2.7135 I 0 0 0 0 0 0 0 0 0 0 0 0 3.3133 -0.0787 0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 1.2198 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 -0.0857 2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4761 -0.2988 0.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3697 -2.4286 1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8049 -2.1506 0.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -2.4031 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 -0.5945 -1.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7854 0.0090 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 1.0697 -1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -1.0375 1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 1.5676 1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 0.7166 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0075 2.0125 -0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 2.9867 1.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 0.1017 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2607 1.7513 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 -0.1404 -2.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 -1.2977 -3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 -1.6917 -2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2996 -1.2869 0.2761 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 2 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 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 1 0 17 18 1 0 18 19 3 0 17 20 2 0 20 21 1 0 20 22 1 0 22 11 1 0 22 15 2 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 M END