@MOLECULE 3-fucosyllactose 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.5948 -0.4707 0.2383 O.3 1 UNL11 -0.4095 2 O -1.9793 -0.5176 -0.0700 O.3 1 UNL11 -0.3797 3 O -0.9359 1.3877 0.4235 O.3 1 UNL11 -0.5302 4 O 4.5434 0.5464 0.9300 O.3 1 UNL11 -0.4667 5 O -5.4584 -1.3093 0.3781 O.3 1 UNL11 -0.4710 6 O 0.2847 -1.9269 1.0742 O.3 1 UNL11 -0.5481 7 O 1.4936 1.7957 -0.8305 O.3 1 UNL11 -0.5251 8 O -3.3414 2.0455 -0.5731 O.3 1 UNL11 -0.5647 9 O 3.6733 -2.8843 0.2511 O.3 1 UNL11 -0.5500 10 O 5.5544 -2.2886 -1.8837 O.3 1 UNL11 -0.5467 11 O -5.9315 1.5852 -1.7826 O.3 1 UNL11 -0.5036 12 O 6.8293 -0.1918 -0.6320 O.3 1 UNL11 -0.5515 13 O -5.8502 -1.0792 -1.8802 O.3 1 UNL11 -0.5999 14 O -1.3266 4.0812 1.3271 O.3 1 UNL11 -0.5385 15 O -4.2703 -3.7520 1.1743 O.3 1 UNL11 -0.5288 16 C 1.5132 0.1215 0.9255 C.3 1 UNL11 0.0037 17 C 0.3059 -0.6898 0.3996 C.3 1 UNL11 0.0699 18 C 1.4209 1.6159 0.5594 C.3 1 UNL11 0.0562 19 C -1.0130 0.0084 0.7894 C.3 1 UNL11 0.3033 20 C -3.3276 -0.2113 0.2710 C.3 1 UNL11 -0.0080 21 C 0.0679 2.1426 1.0805 C.3 1 UNL11 0.0268 22 C 3.7837 -0.6336 0.9661 C.3 1 UNL11 0.2831 23 C -3.8592 0.7555 -0.8106 C.3 1 UNL11 0.0787 24 C -4.0689 -1.5584 0.2020 C.3 1 UNL11 0.0521 25 C 4.5280 -1.7641 0.2136 C.3 1 UNL11 0.0392 26 C 4.8023 -1.3016 -1.2289 C.3 1 UNL11 0.0526 27 C -5.3883 0.8935 -0.6961 C.3 1 UNL11 0.0694 28 C 5.5586 0.0441 -1.1980 C.3 1 UNL11 0.0380 29 C 4.7553 1.0749 -0.3829 C.3 1 UNL11 0.0839 30 C -6.0439 -0.5089 -0.6123 C.3 1 UNL11 0.3087 31 C -0.2086 3.5856 0.6314 C.3 1 UNL11 -0.0139 32 C -3.6959 -2.4799 1.3704 C.3 1 UNL11 -0.0267 33 C 5.5281 2.3632 -0.1499 C.3 1 UNL11 -0.4626 34 H 1.6148 -0.0068 2.0270 H 1 UNL11 0.1437 35 H 0.3714 -0.8686 -0.6978 H 1 UNL11 0.1647 36 H 2.2985 2.1845 0.9397 H 1 UNL11 0.1684 37 H -1.2833 -0.0815 1.8593 H 1 UNL11 0.1319 38 H -3.4091 0.2518 1.2769 H 1 UNL11 0.1491 39 H -0.0419 2.0397 2.1808 H 1 UNL11 0.1460 40 H 3.6284 -0.8218 2.0462 H 1 UNL11 0.1427 41 H -3.5460 0.4395 -1.8311 H 1 UNL11 0.1524 42 H -3.9029 -2.0667 -0.7752 H 1 UNL11 0.1636 43 H 5.4640 -2.0455 0.7448 H 1 UNL11 0.1437 44 H 3.8624 -1.2457 -1.8263 H 1 UNL11 0.1730 45 H -5.6682 1.5312 0.1756 H 1 UNL11 0.1726 46 H 5.7949 0.4044 -2.2233 H 1 UNL11 0.1652 47 H 3.7601 1.2700 -0.8545 H 1 UNL11 0.1733 48 H -7.1195 -0.5017 -0.3403 H 1 UNL11 0.1424 49 H -0.3703 3.6552 -0.4603 H 1 UNL11 0.1414 50 H 0.6113 4.2677 0.9275 H 1 UNL11 0.1549 51 H -4.0227 -2.0747 2.3437 H 1 UNL11 0.1261 52 H -2.6043 -2.6839 1.3849 H 1 UNL11 0.1704 53 H 1.1296 -2.4095 0.8801 H 1 UNL11 0.3518 54 H 0.6593 1.4809 -1.2535 H 1 UNL11 0.3308 55 H 5.5679 2.9699 -1.0626 H 1 UNL11 0.1594 56 H 6.5619 2.1751 0.1692 H 1 UNL11 0.1626 57 H 5.0527 2.9680 0.6346 H 1 UNL11 0.1623 58 H -2.3825 1.9751 -0.3711 H 1 UNL11 0.3374 59 H 3.8705 -3.4695 -0.5187 H 1 UNL11 0.3433 60 H 6.5099 -2.2007 -1.6543 H 1 UNL11 0.3378 61 H -5.7551 1.1039 -2.6251 H 1 UNL11 0.3265 62 H 6.7844 -0.1228 0.3485 H 1 UNL11 0.3294 63 H -6.1437 -2.0117 -1.9101 H 1 UNL11 0.3437 64 H -2.1529 3.6481 1.0091 H 1 UNL11 0.3321 65 H -5.2477 -3.6729 1.1433 H 1 UNL11 0.3169 @BOND 1 1 16 1 2 1 22 1 3 2 19 1 4 2 20 1 5 3 19 1 6 3 21 1 7 4 22 1 8 4 29 1 9 5 24 1 10 5 30 1 11 6 17 1 12 6 53 1 13 7 18 1 14 7 54 1 15 8 23 1 16 8 58 1 17 9 25 1 18 9 59 1 19 10 26 1 20 10 60 1 21 11 27 1 22 11 61 1 23 12 28 1 24 12 62 1 25 13 30 1 26 13 63 1 27 14 31 1 28 14 64 1 29 15 32 1 30 15 65 1 31 16 17 1 32 16 18 1 33 16 34 1 34 17 19 1 35 17 35 1 36 18 21 1 37 18 36 1 38 19 37 1 39 20 23 1 40 20 24 1 41 20 38 1 42 21 31 1 43 21 39 1 44 22 25 1 45 22 40 1 46 23 27 1 47 23 41 1 48 24 32 1 49 24 42 1 50 25 26 1 51 25 43 1 52 26 28 1 53 26 44 1 54 27 30 1 55 27 45 1 56 28 29 1 57 28 46 1 58 29 33 1 59 29 47 1 60 30 48 1 61 31 49 1 62 31 50 1 63 32 51 1 64 32 52 1 65 33 55 1 66 33 56 1 67 33 57 1