@MOLECULE n-[(4-aminobenzoyl)carbamoyl]hexopyranosylamine 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6545 0.8268 -0.5029 O.3 1 UNL1111 -0.4782 2 C 2.0726 -0.2460 0.2228 C.3 1 UNL1111 0.2531 3 C 2.8298 -1.5533 -0.1405 C.3 1 UNL1111 0.0289 4 O 2.4161 -2.5982 0.7129 O.3 1 UNL1111 -0.5519 5 C 4.3305 -1.3829 0.1549 C.3 1 UNL1111 0.0701 6 O 5.0577 -2.4317 -0.4514 O.3 1 UNL1111 -0.5664 7 C 4.8784 -0.1045 -0.5094 C.3 1 UNL1111 0.0693 8 O 6.1493 0.1997 0.0225 O.3 1 UNL1111 -0.5472 9 C 3.9996 1.1075 -0.1406 C.3 1 UNL1111 0.0532 10 C 4.3462 2.3406 -0.9861 C.3 1 UNL1111 -0.0162 11 O 3.6174 3.4571 -0.5257 O.3 1 UNL1111 -0.5326 12 N 0.7084 -0.3138 -0.2850 N.am 1 UNL1111 -0.6496 13 C -0.3309 -0.0113 0.6285 C.2 1 UNL1111 0.7123 14 O -0.1191 0.0565 1.8133 O.2 1 UNL1111 -0.4514 15 N -1.6060 0.0527 0.0336 N.am 1 UNL1111 -0.6701 16 C -2.7495 0.4177 0.7993 C.2 1 UNL1111 0.6103 17 O -2.6032 0.8836 1.9005 O.2 1 UNL1111 -0.4243 18 C -4.0717 0.1915 0.1868 C.ar 1 UNL1111 -0.2722 19 C -5.1638 0.7577 0.8666 C.ar 1 UNL1111 0.0285 20 C -6.4572 0.5594 0.4206 C.ar 1 UNL1111 -0.3349 21 C -6.6785 -0.2264 -0.7329 C.ar 1 UNL1111 0.3264 22 C -5.5825 -0.7943 -1.4229 C.ar 1 UNL1111 -0.3340 23 C -4.2971 -0.5830 -0.9546 C.ar 1 UNL1111 -0.0037 24 N -7.9590 -0.4393 -1.1849 N.pl3 1 UNL1111 -0.6247 25 H 2.1057 -0.0388 1.3252 H 1 UNL1111 0.1783 26 H 2.6522 -1.8676 -1.1906 H 1 UNL1111 0.1486 27 H 1.4362 -2.5972 0.7981 H 1 UNL1111 0.3380 28 H 4.5353 -1.4046 1.2505 H 1 UNL1111 0.1567 29 H 4.7016 -3.2982 -0.1526 H 1 UNL1111 0.3406 30 H 4.9752 -0.2409 -1.6090 H 1 UNL1111 0.1465 31 H 6.7366 -0.5866 -0.0590 H 1 UNL1111 0.3380 32 H 4.0557 1.3393 0.9473 H 1 UNL1111 0.1597 33 H 5.4070 2.6327 -0.8540 H 1 UNL1111 0.1643 34 H 4.1238 2.1851 -2.0567 H 1 UNL1111 0.1271 35 H 2.6688 3.2138 -0.4446 H 1 UNL1111 0.3231 36 H 0.6002 -0.1141 -1.2717 H 1 UNL1111 0.3149 37 H -1.7218 -0.2202 -0.9328 H 1 UNL1111 0.3137 38 H -4.9804 1.3562 1.7683 H 1 UNL1111 0.1762 39 H -7.2964 0.9980 0.9518 H 1 UNL1111 0.1664 40 H -5.7509 -1.3969 -2.3086 H 1 UNL1111 0.1616 41 H -3.4662 -1.0464 -1.4891 H 1 UNL1111 0.1394 42 H -8.7456 -0.0648 -0.7039 H 1 UNL1111 0.3072 43 H -8.1373 -1.0018 -1.9852 H 1 UNL1111 0.3051 @BOND 1 1 2 1 2 1 9 1 3 2 3 1 4 2 12 1 5 2 25 1 6 3 4 1 7 3 5 1 8 3 26 1 9 4 27 1 10 5 6 1 11 5 7 1 12 5 28 1 13 6 29 1 14 7 8 1 15 7 9 1 16 7 30 1 17 8 31 1 18 9 10 1 19 9 32 1 20 10 11 1 21 10 33 1 22 10 34 1 23 11 35 1 24 12 13 am 25 12 36 1 26 13 14 2 27 13 15 am 28 15 16 am 29 15 37 1 30 16 17 2 31 16 18 1 32 18 19 ar 33 18 23 ar 34 19 20 ar 35 19 38 1 36 20 21 ar 37 20 39 1 38 21 22 ar 39 21 24 1 40 22 23 ar 41 22 40 1 42 23 41 1 43 24 42 1 44 24 43 1