HMDB0038666 RDKit 3D L-N-(1H-Indol-3-ylacetyl)aspartic acid 35 36 0 0 0 0 0 0 0 0999 V2000 5.9919 -1.3425 -0.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0380 -0.5217 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1613 0.4980 -1.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8231 -0.7564 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 0.3116 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -0.1524 0.6642 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -0.4231 0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0991 -0.2641 -1.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 -0.8813 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9785 -1.1300 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5811 -2.3249 0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8048 -2.0971 -0.2249 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0308 -0.7614 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1149 -0.0095 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0141 1.3577 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9001 1.9961 -0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 1.2125 0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -0.1474 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 1.6054 0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6677 2.0547 1.3851 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2231 2.3710 -0.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0641 0.9145 -1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4237 -1.7498 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.7263 1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.3976 -1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -0.2635 1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -1.8177 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 -0.1217 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -3.2937 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5066 -2.7911 -0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -0.5084 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8413 1.9855 -0.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8252 3.0706 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 1.6860 0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 2.6228 0.3639 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 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 5 19 1 0 19 20 2 0 19 21 1 0 18 10 1 0 18 13 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 21 35 1 0 M END