@MOLECULE methyl 2-acetamido-2-deoxy-3-o-[(2s)-1-methoxy-1-oxo-2-propanyl]-alpha-d-glucopyranoside 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3372 -0.9780 -0.4463 O.3 1 UNL1111111111 -0.4756 2 O 0.9342 -0.7054 0.5130 O.3 1 UNL1111111111 -0.4063 3 O -0.5789 0.3800 -2.5417 O.3 1 UNL1111111111 -0.5298 4 O -3.0335 0.0688 1.4298 O.3 1 UNL1111111111 -0.4079 5 O -1.9045 -3.7006 -0.4157 O.3 1 UNL1111111111 -0.5414 6 O 0.0525 3.2360 0.4029 O.2 1 UNL1111111111 -0.5417 7 O 4.3594 0.2498 0.6059 O.3 1 UNL1111111111 -0.4213 8 O 3.1518 -0.6249 -1.0792 O.2 1 UNL1111111111 -0.4783 9 N -1.6504 1.8348 -0.0593 N.am 1 UNL1111111111 -0.6159 10 C 0.2448 0.2483 -0.2805 C.3 1 UNL1111111111 0.0293 11 C -0.9442 0.7296 0.5942 C.3 1 UNL1111111111 -0.0113 12 C -0.1827 -0.5275 -1.5437 C.3 1 UNL1111111111 0.0771 13 C -1.3284 -1.5160 -1.2782 C.3 1 UNL1111111111 0.0319 14 C -1.8977 -0.4694 0.8030 C.3 1 UNL1111111111 0.2845 15 C -0.8179 -2.8427 -0.6990 C.3 1 UNL1111111111 -0.0546 16 C 2.1237 -0.2382 1.1164 C.3 1 UNL1111111111 0.0770 17 C -1.0772 3.0985 -0.0203 C.2 1 UNL1111111111 0.6116 18 C 2.4239 -1.2564 2.2080 C.3 1 UNL1111111111 -0.4529 19 C -4.1048 -0.8493 1.5772 C.3 1 UNL1111111111 -0.1811 20 C 3.2229 -0.2535 0.0596 C.2 1 UNL1111111111 0.5459 21 C -1.9099 4.2136 -0.5786 C.3 1 UNL1111111111 -0.5282 22 C 5.4854 0.3411 -0.2605 C.3 1 UNL1111111111 -0.1673 23 H 0.8885 1.1129 -0.5713 H 1 UNL1111111111 0.1747 24 H -0.5451 1.0658 1.5916 H 1 UNL1111111111 0.1717 25 H 0.7046 -1.0368 -2.0000 H 1 UNL1111111111 0.1852 26 H -1.9160 -1.6878 -2.2170 H 1 UNL1111111111 0.1751 27 H -1.4532 -1.2842 1.4115 H 1 UNL1111111111 0.1325 28 H -0.2326 -2.7106 0.2299 H 1 UNL1111111111 0.1407 29 H -0.2115 -3.4091 -1.4301 H 1 UNL1111111111 0.1536 30 H -2.6352 1.6880 -0.2380 H 1 UNL1111111111 0.3299 31 H 1.9870 0.7926 1.5227 H 1 UNL1111111111 0.1636 32 H -1.2387 1.0093 -2.1754 H 1 UNL1111111111 0.3245 33 H 2.4632 -2.2789 1.8059 H 1 UNL1111111111 0.1675 34 H 1.6457 -1.2457 2.9830 H 1 UNL1111111111 0.1656 35 H 3.3870 -1.0467 2.6919 H 1 UNL1111111111 0.1655 36 H -3.7907 -1.7303 2.1446 H 1 UNL1111111111 0.1249 37 H -4.5065 -1.1334 0.5986 H 1 UNL1111111111 0.1396 38 H -4.8444 -0.2680 2.1435 H 1 UNL1111111111 0.1488 39 H -2.6604 -3.1720 -0.0802 H 1 UNL1111111111 0.3206 40 H -1.3028 5.1309 -0.6673 H 1 UNL1111111111 0.1912 41 H -2.3035 3.9862 -1.5780 H 1 UNL1111111111 0.1761 42 H -2.7597 4.4503 0.0768 H 1 UNL1111111111 0.1773 43 H 6.2664 0.7496 0.3911 H 1 UNL1111111111 0.1459 44 H 5.7570 -0.6506 -0.6362 H 1 UNL1111111111 0.1380 45 H 5.2638 1.0189 -1.0921 H 1 UNL1111111111 0.1436 @BOND 1 1 13 1 2 1 14 1 3 2 10 1 4 2 16 1 5 3 12 1 6 3 32 1 7 4 14 1 8 4 19 1 9 5 15 1 10 5 39 1 11 6 17 2 12 7 20 1 13 7 22 1 14 8 20 2 15 9 11 1 16 9 17 am 17 9 30 1 18 10 11 1 19 10 12 1 20 10 23 1 21 11 14 1 22 11 24 1 23 12 13 1 24 12 25 1 25 13 15 1 26 13 26 1 27 14 27 1 28 15 28 1 29 15 29 1 30 16 18 1 31 16 20 1 32 16 31 1 33 17 21 1 34 18 33 1 35 18 34 1 36 18 35 1 37 19 36 1 38 19 37 1 39 19 38 1 40 21 40 1 41 21 41 1 42 21 42 1 43 22 43 1 44 22 44 1 45 22 45 1