HMDB0253470 RDKit 3D indolepropionylglycine 32 33 0 0 0 0 0 0 0 0999 V2000 5.4540 -0.7526 -0.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1255 0.4319 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 1.3313 0.4392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 0.8675 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9707 -0.2367 -0.8064 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5869 -0.1173 -1.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0974 1.0270 -1.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -1.2351 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6411 -0.9722 -1.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -0.5232 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 0.7593 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 0.7021 0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1138 1.6704 1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 1.2972 2.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 -0.0540 2.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 -1.0388 2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7143 -0.6279 1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0639 -1.3352 0.0807 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0006 1.2649 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 1.2561 0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8087 1.7087 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3805 -1.1954 -0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -1.5471 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 -2.1212 -0.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 -0.2774 -2.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 -1.9527 -2.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4733 1.7098 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9554 2.7002 1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3079 2.0506 3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6198 -0.3211 3.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -2.0753 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0325 -2.3938 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 10 1 0 17 12 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 9 26 1 0 11 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 18 32 1 0 M END