HMDB0256796 RDKit 3D Proglumide 50 50 0 0 0 0 0 0 0 0999 V2000 3.8498 -3.3390 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0114 -2.1669 -0.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9343 -1.1790 0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1534 0.0312 0.6313 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 1.1285 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0995 1.1689 -1.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 2.4436 -1.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7704 -0.0678 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -1.2140 1.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 0.9546 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 1.5286 -0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5202 2.5661 -0.7041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 3.0774 -2.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 3.9425 -2.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 2.5946 -3.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 0.4605 1.2072 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1749 -0.4988 0.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5791 -1.0592 -0.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -1.0086 1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0599 -2.0248 0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 -2.5370 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9249 -2.0218 1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3396 -0.9888 2.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1092 -0.5012 2.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -4.0787 -0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 -2.9378 0.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 -3.7897 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -2.6191 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5094 -1.8631 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 -0.8758 1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -1.6669 1.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 1.1431 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 2.1264 0.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1891 1.1790 -1.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7951 0.3396 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 2.3656 -2.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 3.3467 -1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7154 2.5212 -1.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0594 1.8055 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5396 0.8345 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5262 2.2018 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2997 3.3729 0.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4884 2.0666 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3338 2.8723 -2.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1801 -1.1171 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6055 -2.4785 -0.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7692 -3.3389 0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8852 -2.4236 2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8296 -0.5796 3.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6759 0.3045 2.6949 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 4 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 10 16 1 0 16 17 2 3 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 19 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 7 37 1 0 7 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 15 44 1 0 18 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 24 50 1 0 M END