HMDB0028685 RDKit 3D Alanylglutamine 30 29 0 0 0 0 0 0 0 0999 V2000 -4.0603 1.1511 -1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4542 -0.1344 -0.5814 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5637 -0.2331 0.8568 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0329 -0.2772 -0.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 -0.2167 -2.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0408 -0.4740 -0.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3782 -0.6227 -0.3275 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2113 0.4048 0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 0.2444 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 1.3102 0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8975 1.3174 0.4037 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 2.1999 1.3649 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7474 -1.9782 0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1182 -2.7097 0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -2.5770 -0.0408 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2986 1.0683 -2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 1.2845 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4549 2.0408 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -0.9690 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 0.5077 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 -1.1686 1.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 -0.5263 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 -0.5596 -1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 1.4491 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 0.3696 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 0.2576 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -0.7073 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 0.5475 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 2.0353 -0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 -3.0342 0.7267 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 7 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 6 3 20 1 0 3 21 1 0 6 22 1 0 7 23 1 6 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 11 28 1 0 11 29 1 0 15 30 1 0 M END