HMDB0259178 RDKit 3D Tricine 25 24 0 0 0 0 0 0 0 0999 V2000 3.3775 -0.9627 -0.1064 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 0.1816 0.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0799 1.0880 0.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 0.6028 0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 -0.4693 -0.1177 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5212 -0.3019 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -1.4536 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4185 -1.3862 -1.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2575 -0.4602 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7823 0.4984 2.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 1.0058 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 1.0656 -0.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4530 1.0339 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6013 1.5257 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3858 0.9371 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3093 -0.8647 -0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4881 -1.5059 -2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -2.3838 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6539 -1.6315 -2.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 -0.3337 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 -1.4732 1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3564 0.4447 2.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5423 1.0457 -1.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5774 1.8163 -0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 1.9811 -0.6579 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 1 0 7 8 1 0 6 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 5 16 1 0 7 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 9 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 M END