HMDB0000745 RDKit 3D Homocarnosine 33 33 0 0 0 0 0 0 0 0999 V2000 4.4432 1.1043 0.3788 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6881 0.4174 1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 -1.0076 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6337 -1.2739 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2926 -0.6616 -0.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9248 -0.0145 0.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4376 -0.8055 -1.2477 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8982 -0.2256 -1.3021 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7300 -0.8929 -0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1262 -0.3774 -0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 0.6773 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8907 0.8593 0.3584 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 -0.0719 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1994 -0.8323 -0.8764 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 1.2352 -1.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 1.7802 -0.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8853 2.0382 -1.1293 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9519 1.2271 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 0.8368 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8122 1.0051 1.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3672 0.4049 2.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8205 -1.4225 1.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3608 -1.5668 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -1.0363 -1.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4604 -2.3889 -0.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7987 -1.3686 -2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.4703 -2.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7959 -1.9694 -0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -0.8218 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9686 1.2847 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4877 1.6073 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2573 -0.1716 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9646 2.9014 -1.6611 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 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 8 15 1 0 15 16 2 0 15 17 1 0 14 10 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 7 26 1 0 8 27 1 6 9 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 17 33 1 0 M END