@MOLECULE 2-acetamido-2-deoxy-beta-d-galactopyranosyl-(1->4)-[beta-d-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-d-galactose 78 79 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9023 0.1538 -1.0252 O.3 1 UNL11111111111 -0.0552 2 O 2.9248 0.1472 -0.0369 O.3 1 UNL11111111111 -0.2439 3 O -1.5900 1.0277 -0.4026 O.3 1 UNL11111111111 0.4533 4 O -1.8953 -0.6984 0.9915 O.3 1 UNL11111111111 -0.6014 5 O 2.9611 -3.9686 0.3546 O.3 1 UNL11111111111 -0.2861 6 O 4.7225 -1.8915 -0.7058 O.3 1 UNL11111111111 -0.3495 7 O -4.5258 1.4241 -0.3269 O.3 1 UNL11111111111 -0.3160 8 O -5.5420 -1.3413 -0.7451 O.3 1 UNL11111111111 -0.3648 9 O -3.2295 -2.6683 -0.2624 O.3 1 UNL11111111111 -0.2558 10 O -0.8323 2.2467 -2.4321 O.3 1 UNL11111111111 -0.4691 11 O 4.9775 1.4900 1.7483 O.3 1 UNL11111111111 -0.4156 12 O -1.7142 -2.3400 3.7225 O.3 1 UNL11111111111 -0.3602 13 O 1.7795 2.4083 -4.1187 O.3 1 UNL11111111111 -0.4563 14 O -2.6697 3.7114 -1.0047 O.2 1 UNL11111111111 -0.2393 15 O 1.2729 -4.2947 -1.7132 O.2 1 UNL11111111111 -0.3918 16 O 0.0865 2.9674 2.9776 O.2 1 UNL11111111111 -0.3513 17 N 0.4601 -2.5712 -0.5159 N.am 1 UNL11111111111 -0.6071 18 N 0.2986 3.8999 0.9293 N.am 1 UNL11111111111 -0.7711 19 C 1.7891 -1.9523 -0.4790 C.3 1 UNL11111111111 -0.3280 20 C 1.6496 -0.4784 -0.0244 C.3 1 UNL11111111111 0.0989 21 C 2.7356 -2.6117 0.5627 C.3 1 UNL11111111111 -0.4739 22 C 0.7036 1.5417 -0.7750 C.3 1 UNL11111111111 -0.0728 23 C -0.4919 1.6909 0.1881 C.3 1 UNL11111111111 -1.1495 24 C 4.0945 -1.8553 0.5478 C.3 1 UNL11111111111 -0.1917 25 C 3.8317 -0.3795 0.9284 C.3 1 UNL11111111111 -0.0011 26 C -2.5078 0.5041 0.5154 C.3 1 UNL11111111111 -0.3680 27 C -3.7652 0.2405 -0.3504 C.3 1 UNL11111111111 -0.4127 28 C -4.6870 -0.8415 0.2468 C.3 1 UNL11111111111 -0.0592 29 C -3.8587 -2.0111 0.8215 C.3 1 UNL11111111111 -0.6951 30 C -2.7761 -1.4856 1.7821 C.3 1 UNL11111111111 0.6908 31 C 0.5508 2.1831 -2.1662 C.3 1 UNL11111111111 0.0905 32 CA -0.8793 3.1724 0.4602 C.3 1 UNL11111111111 0.4028 33 C 5.0840 0.4860 0.7483 C.3 1 UNL11111111111 -0.4701 34 C -1.9112 -2.6205 2.3492 C.3 1 UNL11111111111 -0.6995 35 C 1.3062 1.3938 -3.2447 C.3 1 UNL11111111111 -0.6413 36 C -1.4986 3.8466 -0.7651 C.2 1 UNL11111111111 -0.0761 37 C 0.2883 -3.7143 -1.2867 C.2 1 UNL11111111111 0.5101 38 C 0.7627 3.6260 2.2162 C.2 1 UNL11111111111 0.5515 39 C -1.1117 -4.1902 -1.5085 C.3 1 UNL11111111111 -0.8692 40 C 2.1134 4.1773 2.5496 C.3 1 UNL11111111111 -0.9102 41 H 2.2566 -2.0083 -1.5009 H 1 UNL11111111111 0.2886 42 H 1.1817 -0.3541 0.9756 H 1 UNL11111111111 0.2082 43 H 2.2916 -2.5627 1.5861 H 1 UNL11111111111 0.3281 44 H 1.6184 1.9650 -0.2826 H 1 UNL11111111111 0.2290 45 H -0.2290 1.2062 1.1654 H 1 UNL11111111111 0.4442 46 H 4.8311 -2.3618 1.2112 H 1 UNL11111111111 0.3186 47 H 3.4040 -0.2684 1.9479 H 1 UNL11111111111 0.2334 48 H -2.6972 1.1666 1.3847 H 1 UNL11111111111 0.3262 49 H -3.4865 -0.0010 -1.4017 H 1 UNL11111111111 0.2527 50 H -5.3896 -0.3948 0.9900 H 1 UNL11111111111 0.3186 51 H -4.5162 -2.7903 1.2632 H 1 UNL11111111111 0.3381 52 H -3.1998 -0.8723 2.6109 H 1 UNL11111111111 0.1199 53 H 0.9251 3.2387 -2.1441 H 1 UNL11111111111 0.2311 54 HA -1.6543 3.1801 1.2846 H 1 UNL11111111111 0.1440 55 H -0.3135 -1.9733 -0.2480 H 1 UNL11111111111 0.5256 56 H 5.1018 0.9655 -0.2498 H 1 UNL11111111111 0.2184 57 H 6.0167 -0.0859 0.9029 H 1 UNL11111111111 0.2324 58 H -2.4407 -3.5918 2.3248 H 1 UNL11111111111 0.2942 59 H -0.9462 -2.7165 1.8158 H 1 UNL11111111111 0.2743 60 H 0.6435 0.6996 -3.7916 H 1 UNL11111111111 0.2868 61 H 2.1713 0.8359 -2.8429 H 1 UNL11111111111 0.2874 62 H 2.6083 -4.2634 -0.5240 H 1 UNL11111111111 0.3543 63 H 4.2049 -1.3635 -1.3569 H 1 UNL11111111111 0.3119 64 H 0.8821 4.3473 0.2424 H 1 UNL11111111111 0.4217 65 H -4.0040 2.1687 -0.7221 H 1 UNL11111111111 0.3083 66 H -0.8626 4.4964 -1.3750 H 1 UNL11111111111 0.1752 67 H -5.0431 -1.9280 -1.3603 H 1 UNL11111111111 0.3206 68 H -2.4524 -2.1297 -0.5466 H 1 UNL11111111111 0.3522 69 H -1.0045 2.4170 -3.3818 H 1 UNL11111111111 0.3614 70 H 5.7440 2.0914 1.7070 H 1 UNL11111111111 0.3178 71 H -0.7622 -2.3200 3.9442 H 1 UNL11111111111 0.3200 72 H -1.6976 -3.4927 -2.1261 H 1 UNL11111111111 0.2606 73 H -1.1132 -5.1544 -2.0463 H 1 UNL11111111111 0.2758 74 H -1.6600 -4.3468 -0.5635 H 1 UNL11111111111 0.2844 75 H 2.3067 2.0235 -4.8435 H 1 UNL11111111111 0.3438 76 H 2.9020 3.4521 2.2799 H 1 UNL11111111111 0.2948 77 H 2.1964 4.3393 3.6367 H 1 UNL11111111111 0.2856 78 H 2.3454 5.1306 2.0606 H 1 UNL11111111111 0.2665 @BOND 1 1 20 1 2 1 22 1 3 2 20 1 4 2 25 1 5 3 23 1 6 3 26 1 7 4 26 1 8 4 30 1 9 5 21 1 10 5 62 1 11 6 24 1 12 6 63 1 13 7 27 1 14 7 65 1 15 8 28 1 16 8 67 1 17 9 29 1 18 9 68 1 19 10 31 1 20 10 69 1 21 11 33 1 22 11 70 1 23 12 34 1 24 12 71 1 25 13 35 1 26 13 75 1 27 14 36 2 28 15 37 2 29 16 38 2 30 17 19 1 31 17 37 am 32 17 55 1 33 18 32 1 34 18 38 am 35 18 64 1 36 19 20 1 37 19 21 1 38 19 41 1 39 20 42 1 40 21 24 1 41 21 43 1 42 22 23 1 43 22 31 1 44 22 44 1 45 23 32 1 46 23 45 1 47 24 25 1 48 24 46 1 49 25 33 1 50 25 47 1 51 26 27 1 52 26 48 1 53 27 28 1 54 27 49 1 55 28 29 1 56 28 50 1 57 29 30 1 58 29 51 1 59 30 34 1 60 30 52 1 61 31 35 1 62 31 53 1 63 32 36 1 64 32 54 1 65 33 56 1 66 33 57 1 67 34 58 1 68 34 59 1 69 35 60 1 70 35 61 1 71 36 66 1 72 37 39 1 73 38 40 1 74 39 72 1 75 39 73 1 76 39 74 1 77 40 76 1 78 40 77 1 79 40 78 1