HMDB0013240 RDKit 3D Indoleacetyl glutamine 39 40 0 0 0 0 0 0 0 0999 V2000 -5.8189 -0.0110 1.1206 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6334 0.2556 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 0.7538 1.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 -0.0018 -1.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0705 0.2171 -1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9941 -0.6276 -0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 -0.3055 -1.5474 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 0.2054 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1636 0.3817 0.4759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 0.5234 -1.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6383 1.0421 -0.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0041 2.3655 -0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 2.4785 0.6556 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 1.2812 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0540 0.8537 2.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0766 -0.4795 2.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4047 1.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4122 -0.9776 0.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3932 0.3637 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2392 -2.0816 -1.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4037 -2.8652 -1.5776 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 -2.6089 -0.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7377 -0.1318 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8051 -0.0955 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8477 -1.0101 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 0.7077 -1.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -0.0055 -2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8097 1.3078 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 -0.3829 0.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 -0.4669 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 1.2864 -2.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -0.3693 -1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 3.1734 -0.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 3.3810 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6711 1.5927 2.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7513 -0.8363 3.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 -2.4561 2.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7575 -1.6324 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8275 -3.4203 -0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 20 22 1 0 19 11 1 0 19 14 1 0 1 23 1 0 1 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 7 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 22 39 1 0 M END