HMDB0029028 RDKit 3D Prolyl-Tryptophan 41 43 0 0 0 0 0 0 0 0999 V2000 -0.8852 -1.8766 -2.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1531 -0.8901 -2.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 -0.8398 -3.4361 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 0.3220 -1.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 0.7163 -1.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 -0.2323 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -1.5118 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 -1.9205 0.5674 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 -0.9713 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2795 -0.8823 0.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 0.2496 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4876 1.3408 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 1.2455 -0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 0.1118 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0548 0.1068 -0.3584 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2472 0.8694 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5567 1.7522 -1.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 0.6696 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -0.6997 0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1342 -0.5519 1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2524 0.9488 1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3376 1.5468 0.7796 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 -0.1528 -4.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.1546 -2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 1.0449 -2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2146 1.6598 -0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9251 -2.0783 -0.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 -2.8553 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6753 -1.7558 1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0739 0.3041 1.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 2.2261 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 2.1000 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 -0.5996 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 0.8369 1.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0370 -0.9591 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1737 -1.4468 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 -1.0852 2.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9813 -0.9643 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 1.2366 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 1.2455 2.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7686 1.3748 -0.1673 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 4 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 14 6 1 0 22 18 1 0 14 9 1 0 3 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 15 33 1 0 18 34 1 0 19 35 1 0 19 36 1 0 20 37 1 0 20 38 1 0 21 39 1 0 21 40 1 0 22 41 1 0 M END