HMDB0001389 RDKit 3D Melatonin 33 34 0 0 0 0 0 0 0 0999 V2000 5.5190 0.8642 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 1.1027 0.5576 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1389 0.2276 0.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 -1.1396 0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 -1.9959 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9352 -1.5480 0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -2.1439 0.4042 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 -1.1815 0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 0.0308 0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 1.4172 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 1.4338 0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4487 0.7155 0.0944 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3954 0.0223 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8854 -0.2384 -2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -0.5000 -0.4837 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.1939 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 0.6358 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 1.8624 0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7055 0.3933 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 0.3383 -0.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3092 -1.4419 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3468 -3.0491 0.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -3.1588 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2151 -1.4415 -0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 2.1497 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3938 1.6268 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 0.9815 1.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6752 2.4920 0.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2565 0.8334 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7888 -0.0298 -2.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 0.5149 -2.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5726 -1.2739 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 1.6938 0.1189 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 9 16 1 0 16 17 2 0 17 3 1 0 16 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 17 33 1 0 M END