@MOLECULE propyl 4-o-beta-d-galactopyranosyl-alpha-d-galactopyranoside 54 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3428 0.1376 -0.0070 O.3 1 UNL1111111111 -0.4045 2 O 2.2631 -0.3780 -0.9496 O.3 1 UNL1111111111 -0.4314 3 O -2.2483 -0.8248 0.5699 O.3 1 UNL1111111111 -0.5217 4 O 0.4040 1.9541 1.8847 O.3 1 UNL1111111111 -0.5776 5 O 3.9709 0.5775 0.2963 O.3 1 UNL1111111111 -0.4832 6 O -1.9303 2.7738 0.1153 O.3 1 UNL1111111111 -0.5651 7 O 2.6889 2.9533 0.4849 O.3 1 UNL1111111111 -0.5455 8 O -4.1217 2.0798 -1.7143 O.3 1 UNL1111111111 -0.5210 9 O -3.5037 -0.6418 -1.8896 O.3 1 UNL1111111111 -0.5070 10 O -0.0344 -2.7717 0.2836 O.3 1 UNL1111111111 -0.5562 11 O -3.7312 -2.9815 1.6050 O.3 1 UNL1111111111 -0.5357 12 C 0.6841 -0.1872 0.9148 C.3 1 UNL1111111111 0.0398 13 C 1.3978 1.1140 1.3293 C.3 1 UNL1111111111 0.0633 14 C 1.6731 -1.0779 0.1357 C.3 1 UNL1111111111 0.0490 15 C -1.5965 0.4366 0.5624 C.3 1 UNL1111111111 0.2744 16 C -2.1734 1.4864 -0.4137 C.3 1 UNL1111111111 0.0229 17 C 2.0001 1.7967 0.0912 C.3 1 UNL1111111111 0.0427 18 C -3.6985 1.3959 -0.5586 C.3 1 UNL1111111111 0.0683 19 C -4.1112 -0.0761 -0.7587 C.3 1 UNL1111111111 0.0690 20 C -3.6635 -0.8450 0.4986 C.3 1 UNL1111111111 0.0293 21 C 2.9388 0.8030 -0.6322 C.3 1 UNL1111111111 0.2774 22 C 0.9610 -2.2567 -0.5646 C.3 1 UNL1111111111 -0.0014 23 C -3.9938 -2.3418 0.3782 C.3 1 UNL1111111111 -0.0148 24 C 5.1828 0.0582 -0.2282 C.3 1 UNL1111111111 -0.0054 25 C 5.0615 -1.4391 -0.5110 C.3 1 UNL1111111111 -0.2958 26 C 6.3931 -1.9915 -1.0098 C.3 1 UNL1111111111 -0.4403 27 H 0.2707 -0.7257 1.7965 H 1 UNL1111111111 0.1607 28 H 2.1676 0.9223 2.1106 H 1 UNL1111111111 0.1448 29 H 2.4816 -1.4261 0.8163 H 1 UNL1111111111 0.1458 30 H -1.5428 0.7835 1.6170 H 1 UNL1111111111 0.1555 31 H -1.6724 1.4303 -1.4115 H 1 UNL1111111111 0.1662 32 H 1.2098 2.1779 -0.5969 H 1 UNL1111111111 0.1776 33 H -4.2121 1.8539 0.3190 H 1 UNL1111111111 0.1432 34 H -5.1976 -0.1636 -0.9815 H 1 UNL1111111111 0.1718 35 H -4.0681 -0.4156 1.4400 H 1 UNL1111111111 0.1477 36 H 3.3138 1.1521 -1.6163 H 1 UNL1111111111 0.1459 37 H 1.6453 -3.1094 -0.7222 H 1 UNL1111111111 0.1437 38 H 0.5301 -1.9391 -1.5320 H 1 UNL1111111111 0.1407 39 H -5.0754 -2.5082 0.2173 H 1 UNL1111111111 0.1529 40 H -3.4189 -2.8250 -0.4336 H 1 UNL1111111111 0.1404 41 H 0.7965 2.8375 2.0776 H 1 UNL1111111111 0.3428 42 H -1.0385 2.8044 0.5379 H 1 UNL1111111111 0.3449 43 H 3.5479 2.7229 0.9083 H 1 UNL1111111111 0.3331 44 H -3.7556 2.9936 -1.7072 H 1 UNL1111111111 0.3255 45 H -2.5362 -0.7490 -1.7320 H 1 UNL1111111111 0.3203 46 H 5.4846 0.6296 -1.1225 H 1 UNL1111111111 0.1183 47 H 5.8905 0.2687 0.5972 H 1 UNL1111111111 0.1377 48 H -0.8244 -2.1812 0.2718 H 1 UNL1111111111 0.3396 49 H -2.7653 -2.9681 1.7827 H 1 UNL1111111111 0.3245 50 H 4.7395 -1.9708 0.4050 H 1 UNL1111111111 0.1481 51 H 4.2623 -1.6223 -1.2583 H 1 UNL1111111111 0.1624 52 H 7.1981 -1.8332 -0.2832 H 1 UNL1111111111 0.1431 53 H 6.3288 -3.0715 -1.1917 H 1 UNL1111111111 0.1489 54 H 6.6991 -1.5228 -1.9523 H 1 UNL1111111111 0.1442 @BOND 1 1 12 1 2 1 15 1 3 2 14 1 4 2 21 1 5 3 15 1 6 3 20 1 7 4 13 1 8 4 41 1 9 5 21 1 10 5 24 1 11 6 16 1 12 6 42 1 13 7 17 1 14 7 43 1 15 8 18 1 16 8 44 1 17 9 19 1 18 9 45 1 19 10 22 1 20 10 48 1 21 11 23 1 22 11 49 1 23 12 13 1 24 12 14 1 25 12 27 1 26 13 17 1 27 13 28 1 28 14 22 1 29 14 29 1 30 15 16 1 31 15 30 1 32 16 18 1 33 16 31 1 34 17 21 1 35 17 32 1 36 18 19 1 37 18 33 1 38 19 20 1 39 19 34 1 40 20 23 1 41 20 35 1 42 21 36 1 43 22 37 1 44 22 38 1 45 23 39 1 46 23 40 1 47 24 25 1 48 24 46 1 49 24 47 1 50 25 26 1 51 25 50 1 52 25 51 1 53 26 52 1 54 26 53 1 55 26 54 1