HMDB0242182 RDKit 3D Hexanoylglutamine 37 36 0 0 0 0 0 0 0 0999 V2000 -4.5494 1.4256 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1337 0.0232 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4152 -0.6682 -0.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1588 -0.0371 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0926 0.1110 -0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6411 -1.1717 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5881 -1.9375 1.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5358 -1.6474 0.3252 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 -0.9759 -0.3943 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3042 -0.0083 0.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 0.7008 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0969 1.6898 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3567 1.5376 0.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4435 2.7447 1.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 -2.0620 -0.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4172 -3.2095 -0.3593 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5301 -1.8166 -1.7349 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 2.1848 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6543 1.5906 0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3513 1.6422 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -0.0314 1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0807 -0.5533 0.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2272 -1.7218 -0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1593 -0.7516 -1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4004 0.9855 -1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7192 -0.5738 -2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 0.7424 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 0.6263 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -2.9263 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 -0.4702 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7678 -0.5717 1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6141 0.7421 0.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9225 1.2989 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 0.0350 -0.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 0.7567 0.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9624 3.5810 1.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 -1.2839 -2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 2 3 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 12 14 1 0 9 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 7 29 1 0 9 30 1 6 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 17 37 1 0 M END