@MOLECULE 1h-indol-3-yl 6-o-(carboxyacetyl)-beta-d-arabino-hexopyranosid-3-ulose 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4108 -0.1757 0.2229 O.3 1 UNL1111111111 -0.4335 2 O -0.9831 1.9743 0.7770 O.3 1 UNL1111111111 -0.3181 3 O -3.9446 -1.8254 -1.3099 O.3 1 UNL1111111111 -0.5380 4 O -4.0852 1.1885 1.7174 O.3 1 UNL1111111111 -0.5375 5 O -0.3862 -2.8290 0.1001 O.3 1 UNL1111111111 -0.4408 6 O -4.2562 0.8597 -1.5135 O.2 1 UNL1111111111 -0.4051 7 O 1.1155 -1.9663 -1.3586 O.2 1 UNL1111111111 -0.4404 8 O 3.9136 -1.8920 0.7338 O.3 1 UNL1111111111 -0.5941 9 O 3.7816 -3.7463 -0.5003 O.2 1 UNL1111111111 -0.4514 10 N 2.3889 0.7283 0.9739 N.ar 1 UNL1111111111 -0.3714 11 C -2.2124 -1.3432 0.2913 C.3 1 UNL1111111111 0.0604 12 C -3.6508 -1.0302 -0.1912 C.3 1 UNL1111111111 -0.0049 13 C -1.8484 0.8870 1.0480 C.3 1 UNL1111111111 0.2790 14 C -3.2451 1.3809 0.5993 C.3 1 UNL1111111111 -0.0183 15 C -3.7758 0.4538 -0.4911 C.2 1 UNL1111111111 0.4060 16 C -1.4918 -2.3198 -0.6467 C.3 1 UNL1111111111 -0.0140 17 C 0.3329 1.6448 0.7237 C.ar 1 UNL1111111111 0.1389 18 C 1.2618 2.4995 0.0395 C.ar 1 UNL1111111111 -0.1273 19 C 2.5410 1.8710 0.1931 C.ar 1 UNL1111111111 0.1387 20 C 1.0203 0.5737 1.2656 C.ar 1 UNL1111111111 -0.1505 21 C 1.1536 3.6919 -0.6797 C.ar 1 UNL1111111111 -0.0672 22 C 3.6999 2.4289 -0.3690 C.ar 1 UNL1111111111 -0.2257 23 C 0.8644 -2.5051 -0.3198 C.2 1 UNL1111111111 0.6226 24 C 2.2992 4.2326 -1.2331 C.ar 1 UNL1111111111 -0.2151 25 C 3.5560 3.6061 -1.0770 C.ar 1 UNL1111111111 -0.0921 26 C 1.8329 -2.9715 0.7364 C.3 1 UNL1111111111 -0.4377 27 C 3.2361 -2.9579 0.2165 C.2 1 UNL1111111111 0.6657 28 H -2.2140 -1.7200 1.3389 H 1 UNL1111111111 0.1447 29 H -4.4086 -1.3313 0.5760 H 1 UNL1111111111 0.1751 30 H -1.7960 0.6071 2.1203 H 1 UNL1111111111 0.1444 31 H -3.2191 2.4433 0.2699 H 1 UNL1111111111 0.1766 32 H -1.1697 -1.8293 -1.5867 H 1 UNL1111111111 0.1777 33 H -2.1038 -3.2141 -0.8739 H 1 UNL1111111111 0.1681 34 H -4.0856 -1.2682 -2.1148 H 1 UNL1111111111 0.3457 35 H -4.6898 1.9525 1.8363 H 1 UNL1111111111 0.3352 36 H 0.6583 -0.2602 1.8274 H 1 UNL1111111111 0.1684 37 H 3.0499 -0.0180 1.0287 H 1 UNL1111111111 0.3280 38 H 0.1817 4.1667 -0.7969 H 1 UNL1111111111 0.1565 39 H 4.6629 1.9477 -0.2490 H 1 UNL1111111111 0.1564 40 H 2.2442 5.1566 -1.8033 H 1 UNL1111111111 0.1524 41 H 4.4291 4.0711 -1.5342 H 1 UNL1111111111 0.1468 42 H 1.7255 -2.3328 1.6463 H 1 UNL1111111111 0.2118 43 H 1.5678 -4.0049 1.0723 H 1 UNL1111111111 0.2156 44 H 4.8446 -1.8189 0.4034 H 1 UNL1111111111 0.3683 @BOND 1 1 11 1 2 1 13 1 3 2 13 1 4 2 17 1 5 3 12 1 6 3 34 1 7 4 14 1 8 4 35 1 9 5 16 1 10 5 23 1 11 6 15 2 12 7 23 2 13 8 27 1 14 8 44 1 15 9 27 2 16 10 19 ar 17 10 20 ar 18 10 37 1 19 11 12 1 20 11 16 1 21 11 28 1 22 12 15 1 23 12 29 1 24 13 14 1 25 13 30 1 26 14 15 1 27 14 31 1 28 16 32 1 29 16 33 1 30 17 18 ar 31 17 20 ar 32 18 19 ar 33 18 21 ar 34 19 22 ar 35 20 36 1 36 21 24 ar 37 21 38 1 38 22 25 ar 39 22 39 1 40 23 26 1 41 24 25 ar 42 24 40 1 43 25 41 1 44 26 27 1 45 26 42 1 46 26 43 1