@MOLECULE (2r,3s,5s,6s)-2,3,4,5,6-pentahydroxycyclohexyl alpha-d-galactopyranoside 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3281 -0.5679 0.0578 O.3 1 UNL1111111111 -0.4551 2 O 1.8881 0.6786 -1.0753 O.3 1 UNL1111111111 -0.4560 3 O -1.0982 2.0675 -0.5523 O.3 1 UNL1111111111 -0.6060 4 O -1.3547 -2.6993 -0.5191 O.3 1 UNL1111111111 -0.5368 5 O -3.3162 2.1612 1.2169 O.3 1 UNL1111111111 -0.5202 6 O -3.6211 -1.2472 -1.3315 O.3 1 UNL1111111111 -0.5438 7 O -5.1373 0.0345 0.6360 O.3 1 UNL1111111111 -0.5007 8 O 1.8246 -2.8313 -0.1023 O.3 1 UNL1111111111 -0.5140 9 O 4.1256 -1.7257 1.3592 O.3 1 UNL1111111111 -0.5105 10 O 4.5077 0.5142 -0.1745 O.3 1 UNL1111111111 -0.5393 11 O 1.3099 3.2945 -0.6592 O.3 1 UNL1111111111 -0.5473 12 C -0.9957 -0.3277 -0.3826 C.3 1 UNL1111111111 0.0163 13 C -1.4714 0.9866 0.2658 C.3 1 UNL1111111111 0.0651 14 C -1.7668 -1.5508 0.1686 C.3 1 UNL1111111111 0.0597 15 C -3.0174 1.1427 0.2896 C.3 1 UNL1111111111 0.0605 16 C -3.2813 -1.3534 0.0319 C.3 1 UNL1111111111 0.0203 17 C -3.7536 -0.1070 0.8040 C.3 1 UNL1111111111 0.0696 18 C 1.3413 -0.6081 -0.9251 C.3 1 UNL1111111111 0.2678 19 C 2.4004 -1.5796 -0.3379 C.3 1 UNL1111111111 0.0395 20 C 3.0046 -0.9897 0.9570 C.3 1 UNL1111111111 0.0616 21 C 3.4291 0.4873 0.7313 C.3 1 UNL1111111111 0.0399 22 C 2.2324 1.2686 0.1766 C.3 1 UNL1111111111 0.0063 23 C 2.5140 2.7320 -0.1667 C.3 1 UNL1111111111 -0.0171 24 H -1.0507 -0.2627 -1.4913 H 1 UNL1111111111 0.1439 25 H -1.0406 1.1043 1.2856 H 1 UNL1111111111 0.1488 26 H -1.4611 -1.7655 1.2210 H 1 UNL1111111111 0.1707 27 H -3.3925 1.4508 -0.7136 H 1 UNL1111111111 0.1402 28 H -3.8501 -2.2630 0.3427 H 1 UNL1111111111 0.1816 29 H -3.6470 -0.2122 1.9093 H 1 UNL1111111111 0.1753 30 H 0.9767 -0.8721 -1.9357 H 1 UNL1111111111 0.1464 31 H 3.1991 -1.8010 -1.0830 H 1 UNL1111111111 0.1582 32 H 2.3015 -1.1050 1.8124 H 1 UNL1111111111 0.1647 33 H 3.8605 0.9305 1.6550 H 1 UNL1111111111 0.1664 34 H 1.3586 1.2092 0.8702 H 1 UNL1111111111 0.1602 35 H 3.3266 2.8524 -0.9034 H 1 UNL1111111111 0.1420 36 H 2.7375 3.3315 0.7371 H 1 UNL1111111111 0.1552 37 H -0.1644 2.3523 -0.4288 H 1 UNL1111111111 0.3635 38 H -1.8448 -2.8014 -1.3693 H 1 UNL1111111111 0.3345 39 H -2.8949 2.9998 0.9149 H 1 UNL1111111111 0.3281 40 H -3.1615 -0.4885 -1.7616 H 1 UNL1111111111 0.3166 41 H -5.3756 -0.0035 -0.3188 H 1 UNL1111111111 0.3191 42 H 0.8725 -2.7472 0.1477 H 1 UNL1111111111 0.3404 43 H 4.8951 -1.5237 0.7766 H 1 UNL1111111111 0.3243 44 H 4.1836 0.3838 -1.0941 H 1 UNL1111111111 0.3263 45 H 1.2289 3.1239 -1.6253 H 1 UNL1111111111 0.3337 @BOND 1 1 12 1 2 1 18 1 3 2 18 1 4 2 22 1 5 3 13 1 6 3 37 1 7 4 14 1 8 4 38 1 9 5 15 1 10 5 39 1 11 6 16 1 12 6 40 1 13 7 17 1 14 7 41 1 15 8 19 1 16 8 42 1 17 9 20 1 18 9 43 1 19 10 21 1 20 10 44 1 21 11 23 1 22 11 45 1 23 12 13 1 24 12 14 1 25 12 24 1 26 13 15 1 27 13 25 1 28 14 16 1 29 14 26 1 30 15 17 1 31 15 27 1 32 16 17 1 33 16 28 1 34 17 29 1 35 18 19 1 36 18 30 1 37 19 20 1 38 19 31 1 39 20 21 1 40 20 32 1 41 21 22 1 42 21 33 1 43 22 23 1 44 22 34 1 45 23 35 1 46 23 36 1