@MOLECULE octyl 2-o-(6-deoxy-alpha-l-galactopyranosyl)-beta-d-gulopyranoside 68 69 0 0 0 SMALL GASTEIGER @ATOM 1 C -2.7997 -1.7468 0.2341 C.3 1 UNL1111111111 0.2687 2 O 0.0906 0.8992 0.1086 O.3 1 UNL1111111111 -0.4151 3 C -2.8126 -2.8916 -0.8132 C.3 1 UNL1111111111 0.0392 4 O -3.5572 -2.4908 -1.9290 O.3 1 UNL1111111111 -0.5067 5 C -1.3665 -3.2749 -1.1848 C.3 1 UNL1111111111 0.0553 6 O -1.3490 -4.4263 -1.9838 O.3 1 UNL1111111111 -0.5232 7 C -0.5511 -3.5317 0.1055 C.3 1 UNL1111111111 0.0392 8 O -1.1023 -4.6626 0.7446 O.3 1 UNL1111111111 -0.5500 9 C -0.6134 -2.2941 1.0166 C.3 1 UNL1111111111 0.0787 10 O -1.9878 -2.0553 1.3290 O.3 1 UNL1111111111 -0.4526 11 C 0.0428 -2.5250 2.3689 C.3 1 UNL1111111111 -0.4573 12 O -1.3869 5.3670 -1.3615 O.3 1 UNL1111111111 -0.5366 13 C 7.3846 -0.1525 0.1900 C.3 1 UNL1111111111 -0.2734 14 C 6.2516 0.7660 -0.2842 C.3 1 UNL1111111111 -0.2763 15 C 4.8862 0.2032 0.1298 C.3 1 UNL1111111111 -0.2708 16 C 3.7586 1.1383 -0.3249 C.3 1 UNL1111111111 -0.2711 17 C 2.3943 0.5718 0.0772 C.3 1 UNL1111111111 -0.2898 18 C 1.2797 1.5030 -0.4047 C.3 1 UNL1111111111 -0.0259 19 C -1.0911 1.3367 -0.4948 C.3 1 UNL1111111111 0.2978 20 O -1.1459 2.7364 -0.2403 O.3 1 UNL1111111111 -0.4914 21 C -2.3928 3.3450 -0.5316 C.3 1 UNL1111111111 0.0178 22 C -2.1293 4.8388 -0.2868 C.3 1 UNL1111111111 -0.0104 23 C -3.4219 2.7752 0.4553 C.3 1 UNL1111111111 0.0373 24 O -2.9858 2.9741 1.7804 O.3 1 UNL1111111111 -0.5423 25 C -3.5703 1.2582 0.2188 C.3 1 UNL1111111111 0.0570 26 O -4.3960 0.7060 1.2114 O.3 1 UNL1111111111 -0.5353 27 C -2.1981 0.5583 0.2585 C.3 1 UNL1111111111 0.0098 28 O -2.2850 -0.6438 -0.4852 O.3 1 UNL1111111111 -0.4722 29 H -3.7866 -1.5118 0.6898 H 1 UNL1111111111 0.1705 30 H -3.3853 -3.7688 -0.4354 H 1 UNL1111111111 0.1628 31 H -3.1406 -1.7099 -2.3573 H 1 UNL1111111111 0.3200 32 H -0.8942 -2.5059 -1.8351 H 1 UNL1111111111 0.1569 33 H -1.5663 -5.2199 -1.4398 H 1 UNL1111111111 0.3283 34 H 0.4889 -3.8454 -0.1274 H 1 UNL1111111111 0.1604 35 H -1.8503 -4.3908 1.3244 H 1 UNL1111111111 0.3295 36 H -0.1964 -1.3939 0.5066 H 1 UNL1111111111 0.1567 37 H 1.1325 -2.5897 2.2758 H 1 UNL1111111111 0.1544 38 H -0.1905 -1.7033 3.0601 H 1 UNL1111111111 0.1628 39 H -0.3069 -3.4536 2.8406 H 1 UNL1111111111 0.1644 40 H -0.5259 4.9015 -1.4323 H 1 UNL1111111111 0.3215 41 H 7.2501 -1.1693 -0.2232 H 1 UNL1111111111 0.1370 42 C 8.7493 0.4077 -0.2326 C.3 1 UNL1111111111 -0.2508 43 H 7.3468 -0.2653 1.2894 H 1 UNL1111111111 0.1372 44 H 6.3877 1.7804 0.1356 H 1 UNL1111111111 0.1375 45 H 6.2957 0.8844 -1.3830 H 1 UNL1111111111 0.1369 46 H 4.7446 -0.8042 -0.3045 H 1 UNL1111111111 0.1386 47 H 4.8489 0.0688 1.2271 H 1 UNL1111111111 0.1386 48 H 3.9024 2.1419 0.1188 H 1 UNL1111111111 0.1391 49 H 3.8068 1.2803 -1.4211 H 1 UNL1111111111 0.1377 50 H 2.2501 -0.4409 -0.3459 H 1 UNL1111111111 0.1512 51 H 2.3299 0.4491 1.1761 H 1 UNL1111111111 0.1538 52 H 1.2350 1.5686 -1.5041 H 1 UNL1111111111 0.1195 53 H 1.3580 2.5162 0.0251 H 1 UNL1111111111 0.1293 54 H -1.0849 1.1716 -1.5913 H 1 UNL1111111111 0.1292 55 H -2.6676 3.1556 -1.5917 H 1 UNL1111111111 0.1476 56 H -1.5881 5.0090 0.6627 H 1 UNL1111111111 0.1404 57 H -3.0635 5.4307 -0.2955 H 1 UNL1111111111 0.1530 58 H -4.4046 3.2941 0.4227 H 1 UNL1111111111 0.1679 59 H -2.0205 2.7705 1.8476 H 1 UNL1111111111 0.3363 60 H -4.1146 1.0227 -0.7251 H 1 UNL1111111111 0.1681 61 H -4.1837 1.0991 2.0922 H 1 UNL1111111111 0.3358 62 H -1.8854 0.3450 1.3082 H 1 UNL1111111111 0.1722 63 H 8.7961 0.4982 -1.3343 H 1 UNL1111111111 0.1339 64 H 8.8760 1.4338 0.1615 H 1 UNL1111111111 0.1340 65 C 9.8845 -0.4858 0.2667 C.3 1 UNL1111111111 -0.4393 66 H 9.8857 -0.5590 1.3600 H 1 UNL1111111111 0.1427 67 H 9.7990 -1.5029 -0.1318 H 1 UNL1111111111 0.1430 68 H 10.8614 -0.0941 -0.0379 H 1 UNL1111111111 0.1414 @BOND 1 1 3 1 2 1 10 1 3 1 28 1 4 1 29 1 5 2 18 1 6 2 19 1 7 3 4 1 8 3 5 1 9 3 30 1 10 4 31 1 11 5 6 1 12 5 7 1 13 5 32 1 14 6 33 1 15 7 8 1 16 7 9 1 17 7 34 1 18 8 35 1 19 9 10 1 20 9 11 1 21 9 36 1 22 11 37 1 23 11 38 1 24 11 39 1 25 12 22 1 26 12 40 1 27 13 14 1 28 13 41 1 29 13 42 1 30 13 43 1 31 14 15 1 32 14 44 1 33 14 45 1 34 15 16 1 35 15 46 1 36 15 47 1 37 16 17 1 38 16 48 1 39 16 49 1 40 17 18 1 41 17 50 1 42 17 51 1 43 18 52 1 44 18 53 1 45 19 20 1 46 19 27 1 47 19 54 1 48 20 21 1 49 21 22 1 50 21 23 1 51 21 55 1 52 22 56 1 53 22 57 1 54 23 24 1 55 23 25 1 56 23 58 1 57 24 59 1 58 25 26 1 59 25 27 1 60 25 60 1 61 26 61 1 62 27 28 1 63 27 62 1 64 42 63 1 65 42 64 1 66 42 65 1 67 65 66 1 68 65 67 1 69 65 68 1