@MOLECULE 5,6-dihydroxy-2-[(2-phenyl-1h-indol-3-yl)methyl]pyrimidine-4-carboxylic acid 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 C 4.4584 -2.2115 0.0304 C.ar 0 UNK0 -0.1971 2 C 5.0754 -1.4444 -0.9816 C.ar 0 UNK0 -0.1157 3 C 4.5681 -0.2193 -1.3720 C.ar 0 UNK0 -0.2150 4 C 3.4155 0.2323 -0.7162 C.ar 0 UNK0 0.1080 5 C 2.7859 -0.5267 0.3214 C.ar 0 UNK0 -0.0644 6 C 3.3225 -1.7666 0.6816 C.ar 0 UNK0 -0.0969 7 N 2.6752 1.3991 -0.9052 N.ar 0 UNK0 -0.3847 8 C 1.6009 1.3904 -0.0057 C.ar 0 UNK0 0.1015 9 C 1.6474 0.2318 0.7604 C.ar 0 UNK0 -0.1248 10 C 0.6227 2.4681 0.0055 C.ar 0 UNK0 -0.0243 11 C 0.6808 -0.1791 1.8013 C.3 0 UNK0 -0.2299 12 C -0.4543 -0.9101 1.1352 C.ar 0 UNK0 0.3564 13 C -0.1797 2.6907 -1.1167 C.ar 0 UNK0 -0.1260 14 C -1.1415 3.6974 -1.0886 C.ar 0 UNK0 -0.1424 15 C -1.3034 4.4766 0.0560 C.ar 0 UNK0 -0.1356 16 C -0.5014 4.2529 1.1743 C.ar 0 UNK0 -0.1467 17 C 0.4634 3.2490 1.1529 C.ar 0 UNK0 -0.1269 18 N -1.5236 -0.2173 0.7334 N.ar 1 UNK1 -0.3760 19 C -2.5090 -0.8727 0.0617 C.ar 1 UNK1 -0.0538 20 C -2.4427 -2.2407 -0.2126 C.ar 1 UNK1 0.1419 21 C -1.2713 -2.9090 0.2864 C.ar 1 UNK1 0.3882 22 N -0.3116 -2.2658 0.9464 N.ar 1 UNK1 -0.5049 23 C -3.6841 -0.1057 -0.4003 C.2 1 UNK1 0.6557 24 O -3.3502 -2.9600 -0.8759 O.3 1 UNK1 -0.3888 25 O -1.1529 -4.2268 0.0800 O.3 1 UNK1 -0.3921 26 O -4.5969 -0.5944 -1.0422 O.2 1 UNK1 -0.5670 27 O -3.6864 1.1889 -0.0592 O.3 1 UNK1 -0.4404 28 H 4.8927 -3.1732 0.2931 H 0 UNK0 0.1484 29 H 5.9697 -1.8373 -1.4631 H 0 UNK0 0.1466 30 H 5.0352 0.3689 -2.1528 H 0 UNK0 0.1558 31 H 2.8377 -2.3627 1.4524 H 0 UNK0 0.1591 32 H 1.1672 -0.8317 2.5625 H 0 UNK0 0.1785 33 H 0.2869 0.7073 2.3541 H 0 UNK0 0.1808 34 H -0.0670 2.0635 -1.9997 H 0 UNK0 0.1563 35 H -1.7737 3.8672 -1.9574 H 0 UNK0 0.1481 36 H -2.0611 5.2565 0.0794 H 0 UNK0 0.1436 37 H -0.6347 4.8579 2.0683 H 0 UNK0 0.1466 38 H 1.0889 3.0683 2.0257 H 0 UNK0 0.1559 39 H -4.4988 1.6654 -0.3932 H 1 UNK1 0.3454 40 H 2.8775 2.1243 -1.5524 H 0 UNK0 0.3176 41 H -4.1175 -2.3576 -1.1753 H 1 UNK1 0.3692 42 H -0.2845 -4.5723 0.4563 H 1 UNK1 0.3496 @BOND 1 1 28 1 2 2 1 ar 3 2 29 1 4 3 2 ar 5 3 30 1 6 4 3 ar 7 4 5 ar 8 5 6 ar 9 6 1 ar 10 6 31 1 11 7 4 ar 12 7 40 1 13 8 7 ar 14 8 9 ar 15 9 5 ar 16 9 11 1 17 10 8 1 18 11 32 1 19 11 33 1 20 12 11 1 21 12 22 ar 22 13 10 ar 23 13 34 1 24 14 13 ar 25 14 35 1 26 15 14 ar 27 15 16 ar 28 15 36 1 29 16 17 ar 30 16 37 1 31 17 10 ar 32 17 38 1 33 18 12 ar 34 19 18 ar 35 19 20 ar 36 20 21 ar 37 21 22 ar 38 21 25 1 39 23 19 1 40 24 20 1 41 24 41 1 42 25 42 1 43 26 23 2 44 27 23 1 45 27 39 1