@MOLECULE methyl 3-deoxy-2-o-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-d-talopyranoside 58 60 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.1298 -1.8686 -1.2066 C.3 1 UNL1111111111 0.2643 2 O -2.9088 -0.8848 -1.8303 O.3 1 UNL1111111111 -0.3695 3 C -0.7176 -1.2440 -1.1110 C.3 1 UNL1111111111 0.0349 4 O -0.8452 0.0397 -0.5183 O.3 1 UNL1111111111 -0.4517 5 C 0.1707 -2.0568 -0.1325 C.3 1 UNL1111111111 0.0070 6 N 1.3948 -1.3209 0.1447 N.am 1 UNL1111111111 -0.5861 7 C -0.5717 -2.3068 1.2080 C.3 1 UNL1111111111 0.0800 8 O -0.7532 -1.1046 1.9081 O.3 1 UNL1111111111 -0.5453 9 C -1.9393 -2.9483 0.9112 C.3 1 UNL1111111111 0.0097 10 O -2.6946 -2.0845 0.0786 O.3 1 UNL1111111111 -0.4671 11 C -2.7936 -3.0367 2.1858 C.3 1 UNL1111111111 -0.0073 12 O -3.9266 -3.8392 1.9382 O.3 1 UNL1111111111 -0.5437 13 C -1.1079 1.0958 -1.3496 C.2 1 UNL1111111111 0.6218 14 O -1.0014 1.0175 -2.5430 O.2 1 UNL1111111111 -0.4646 15 C -1.4777 2.2686 -0.5417 C.ar 1 UNL1111111111 -0.1680 16 C -2.2392 3.2680 -1.1531 C.ar 1 UNL1111111111 -0.0584 17 C -2.6256 4.3840 -0.4197 C.ar 1 UNL1111111111 -0.2143 18 C -2.2507 4.5055 0.9230 C.ar 1 UNL1111111111 0.0994 19 C -1.4834 3.5041 1.5259 C.ar 1 UNL1111111111 -0.2084 20 C -1.0964 2.3848 0.7953 C.ar 1 UNL1111111111 -0.0701 21 C -2.6805 5.7005 1.7020 C.3 1 UNL1111111111 -0.4680 22 C 2.5650 -1.6235 -0.5247 C.2 1 UNL1111111111 0.5917 23 O 2.6183 -2.5762 -1.2771 O.2 1 UNL1111111111 -0.5302 24 C 3.7122 -0.7302 -0.2255 C.ar 1 UNL1111111111 -0.1582 25 C 4.9306 -1.3048 0.1346 C.ar 1 UNL1111111111 -0.0788 26 C 6.0214 -0.4878 0.4157 C.ar 1 UNL1111111111 -0.2035 27 C 5.8981 0.9021 0.3269 C.ar 1 UNL1111111111 0.0800 28 C 4.6786 1.4694 -0.0552 C.ar 1 UNL1111111111 -0.1983 29 C 3.5856 0.6545 -0.3327 C.ar 1 UNL1111111111 -0.0980 30 C 7.0695 1.7748 0.6209 C.3 1 UNL1111111111 -0.4641 31 C -4.3084 -1.0965 -1.7295 C.3 1 UNL1111111111 -0.1830 32 H -2.1634 -2.8187 -1.7788 H 1 UNL1111111111 0.1178 33 H -0.2461 -1.1558 -2.1183 H 1 UNL1111111111 0.1794 34 H 0.4234 -3.0435 -0.6169 H 1 UNL1111111111 0.1830 35 H 1.3067 -0.5356 0.7747 H 1 UNL1111111111 0.3321 36 H 0.0443 -2.9197 1.9036 H 1 UNL1111111111 0.1601 37 H -1.2989 -0.4874 1.3560 H 1 UNL1111111111 0.3462 38 H -1.8426 -3.9425 0.4238 H 1 UNL1111111111 0.1411 39 H -2.2686 -3.5619 3.0037 H 1 UNL1111111111 0.1496 40 H -3.1141 -2.0350 2.5290 H 1 UNL1111111111 0.1430 41 H -4.4414 -3.4595 1.1943 H 1 UNL1111111111 0.3221 42 H -2.5247 3.1659 -2.2033 H 1 UNL1111111111 0.1707 43 H -3.2198 5.1641 -0.8905 H 1 UNL1111111111 0.1585 44 H -1.1893 3.5959 2.5694 H 1 UNL1111111111 0.1601 45 H -0.4965 1.6049 1.2690 H 1 UNL1111111111 0.1635 46 H -3.7695 5.6941 1.8667 H 1 UNL1111111111 0.1662 47 H -2.2080 5.7600 2.6918 H 1 UNL1111111111 0.1582 48 H -2.4406 6.6370 1.1769 H 1 UNL1111111111 0.1628 49 H 5.0247 -2.3909 0.1880 H 1 UNL1111111111 0.1643 50 H 6.9722 -0.9326 0.7002 H 1 UNL1111111111 0.1569 51 H 4.5838 2.5500 -0.1396 H 1 UNL1111111111 0.1587 52 H 2.6402 1.1002 -0.6447 H 1 UNL1111111111 0.1613 53 H 7.6890 1.9136 -0.2795 H 1 UNL1111111111 0.1668 54 H 6.7738 2.7755 0.9643 H 1 UNL1111111111 0.1579 55 H 7.7218 1.3513 1.3973 H 1 UNL1111111111 0.1588 56 H -4.6462 -0.9068 -0.7051 H 1 UNL1111111111 0.1361 57 H -4.7108 -0.3386 -2.4149 H 1 UNL1111111111 0.1490 58 H -4.5869 -2.1022 -2.0543 H 1 UNL1111111111 0.1236 @BOND 1 1 2 1 2 1 3 1 3 1 10 1 4 1 32 1 5 2 31 1 6 3 4 1 7 3 5 1 8 3 33 1 9 4 13 1 10 5 6 1 11 5 7 1 12 5 34 1 13 6 22 am 14 6 35 1 15 7 8 1 16 7 9 1 17 7 36 1 18 8 37 1 19 9 10 1 20 9 11 1 21 9 38 1 22 11 12 1 23 11 39 1 24 11 40 1 25 12 41 1 26 13 14 2 27 13 15 1 28 15 16 ar 29 15 20 ar 30 16 17 ar 31 16 42 1 32 17 18 ar 33 17 43 1 34 18 19 ar 35 18 21 1 36 19 20 ar 37 19 44 1 38 20 45 1 39 21 46 1 40 21 47 1 41 21 48 1 42 22 23 2 43 22 24 1 44 24 25 ar 45 24 29 ar 46 25 26 ar 47 25 49 1 48 26 27 ar 49 26 50 1 50 27 28 ar 51 27 30 1 52 28 29 ar 53 28 51 1 54 29 52 1 55 30 53 1 56 30 54 1 57 30 55 1 58 31 56 1 59 31 57 1 60 31 58 1