@MOLECULE n-[(2s,3r,4e)-1-{[alpha-d-galactopyranosyl-(1->3)-beta-d-galactopyranosyl-(1->4)-beta-d-glucopyranosyl]oxy}-3-hydroxy-4-octadecen-2-yl]octanamide 144 146 0 0 0 SMALL GASTEIGER @ATOM 1 C 21.2510 3.3307 -1.8478 C.3 1 UNL111111111 -0.4398 2 C 19.8423 3.7195 -1.3989 C.3 1 UNL111111111 -0.2510 3 C 18.9645 2.4745 -1.2133 C.3 1 UNL111111111 -0.2722 4 C 17.5512 2.8666 -0.7646 C.3 1 UNL111111111 -0.2746 5 C 16.6752 1.6208 -0.5812 C.3 1 UNL111111111 -0.2722 6 C 15.2630 2.0148 -0.1300 C.3 1 UNL111111111 -0.2716 7 C 14.3861 0.7702 0.0560 C.3 1 UNL111111111 -0.2727 8 C 12.9780 1.1654 0.5190 C.3 1 UNL111111111 -0.2728 9 C 12.1024 -0.0792 0.7103 C.3 1 UNL111111111 -0.2727 10 C 10.6979 0.3137 1.1852 C.3 1 UNL111111111 -0.2728 11 C 9.8201 -0.9316 1.3597 C.3 1 UNL111111111 -0.2738 12 C 8.4187 -0.5436 1.8453 C.3 1 UNL111111111 -0.2646 13 C 7.5292 -1.7902 1.9723 C.3 1 UNL111111111 -0.2876 14 C 6.1784 -1.4071 2.4805 C.2 1 UNL111111111 -0.1209 15 C 5.0575 -1.6151 1.7866 C.2 1 UNL111111111 -0.2513 16 C 3.7096 -1.2343 2.3080 C.3 1 UNL111111111 0.1289 17 O 3.7908 -0.2633 3.3294 O.3 1 UNL111111111 -0.5525 18 C 2.8019 -0.6401 1.1844 C.3 1 UNL111111111 0.0292 19 C 1.4536 -0.2252 1.8049 C.3 1 UNL111111111 -0.0549 20 O 1.0039 0.8086 0.9285 O.3 1 UNL111111111 -0.4476 21 C -0.3126 1.2257 1.1515 C.3 1 UNL111111111 0.2801 22 O -1.1380 0.0839 0.9733 O.3 1 UNL111111111 -0.4648 23 C -2.5164 0.3878 1.0769 C.3 1 UNL111111111 0.0464 24 C -3.2055 -0.9852 1.0642 C.3 1 UNL111111111 -0.0154 25 O -2.9413 -1.6492 2.2770 O.3 1 UNL111111111 -0.5305 26 C -2.9169 1.2467 -0.1443 C.3 1 UNL111111111 0.0300 27 O -4.2531 1.6277 0.1583 O.3 1 UNL111111111 -0.3701 28 C -5.1492 1.5297 -0.9099 C.3 1 UNL111111111 0.2911 29 O -4.9582 2.7361 -1.6385 O.3 1 UNL111111111 -0.4411 30 C -5.8738 2.9350 -2.7010 C.3 1 UNL111111111 -0.0068 31 C -5.3439 4.2192 -3.3639 C.3 1 UNL111111111 -0.0017 32 O -4.0638 3.9669 -3.8933 O.3 1 UNL111111111 -0.5504 33 C -7.2657 3.1303 -2.0684 C.3 1 UNL111111111 0.0724 34 O -7.2333 4.2004 -1.1618 O.3 1 UNL111111111 -0.5155 35 C -7.6142 1.8132 -1.3313 C.3 1 UNL111111111 -0.0052 36 O -8.8602 2.0890 -0.7151 O.3 1 UNL111111111 -0.3907 37 C -9.7767 1.0343 -0.6399 C.3 1 UNL111111111 0.2551 38 O -9.3712 0.2514 0.4746 O.3 1 UNL111111111 -0.4984 39 C -10.2570 -0.8090 0.8114 C.3 1 UNL111111111 0.0248 40 C -9.5813 -1.4631 2.0257 C.3 1 UNL111111111 -0.0087 41 O -8.5971 -2.3651 1.5797 O.3 1 UNL111111111 -0.5433 42 C -11.6375 -0.2366 1.1921 C.3 1 UNL111111111 0.0532 43 O -11.5323 0.4955 2.3821 O.3 1 UNL111111111 -0.5390 44 C -12.1650 0.6564 0.0455 C.3 1 UNL111111111 0.0614 45 O -13.3700 1.2616 0.4127 O.3 1 UNL111111111 -0.5128 46 C -11.1237 1.7334 -0.3317 C.3 1 UNL111111111 0.0376 47 O -10.9951 2.5842 0.7897 O.3 1 UNL111111111 -0.5502 48 C -6.5526 1.5163 -0.2551 C.3 1 UNL111111111 0.0549 49 O -6.6965 0.1986 0.2220 O.3 1 UNL111111111 -0.5718 50 C -2.0641 2.5238 -0.2190 C.3 1 UNL111111111 0.1022 51 O -2.1828 2.9869 -1.5532 O.3 1 UNL111111111 -0.5655 52 C -0.5682 2.2374 0.0149 C.3 1 UNL111111111 0.0253 53 O -0.0338 3.4913 0.3902 O.3 1 UNL111111111 -0.5565 54 N 2.6249 -1.5877 0.0813 N.am 1 UNL111111111 -0.6211 55 C 2.0746 -2.8457 0.2857 C.2 1 UNL111111111 0.5964 56 O 1.8137 -3.2394 1.4028 O.2 1 UNL111111111 -0.5376 57 C 1.9189 -3.6842 -0.9635 C.3 1 UNL111111111 -0.3634 58 C 1.2352 -5.0109 -0.6165 C.3 1 UNL111111111 -0.2444 59 C 1.1543 -5.9175 -1.8493 C.3 1 UNL111111111 -0.2778 60 C 0.4292 -7.2268 -1.5088 C.3 1 UNL111111111 -0.2713 61 C 0.3436 -8.1361 -2.7410 C.3 1 UNL111111111 -0.2757 62 C -0.3998 -9.4370 -2.4086 C.3 1 UNL111111111 -0.2502 63 C -0.4756 -10.3501 -3.6322 C.3 1 UNL111111111 -0.4407 64 H 21.8830 4.2151 -1.9836 H 1 UNL111111111 0.1401 65 H 21.7419 2.6848 -1.1114 H 1 UNL111111111 0.1424 66 H 21.2326 2.7900 -2.8004 H 1 UNL111111111 0.1422 67 H 19.8914 4.2922 -0.4536 H 1 UNL111111111 0.1336 68 H 19.3831 4.3990 -2.1414 H 1 UNL111111111 0.1335 69 H 18.9177 1.9018 -2.1580 H 1 UNL111111111 0.1363 70 H 19.4241 1.7960 -0.4709 H 1 UNL111111111 0.1365 71 H 17.5991 3.4383 0.1809 H 1 UNL111111111 0.1365 72 H 17.0928 3.5458 -1.5073 H 1 UNL111111111 0.1362 73 H 16.6259 1.0498 -1.5270 H 1 UNL111111111 0.1363 74 H 17.1344 0.9408 0.1603 H 1 UNL111111111 0.1366 75 H 15.3137 2.5871 0.8151 H 1 UNL111111111 0.1366 76 H 14.8040 2.6938 -0.8724 H 1 UNL111111111 0.1362 77 H 14.3280 0.2021 -0.8910 H 1 UNL111111111 0.1362 78 H 14.8488 0.0869 0.7922 H 1 UNL111111111 0.1368 79 H 13.0365 1.7365 1.4643 H 1 UNL111111111 0.1369 80 H 12.5133 1.8460 -0.2185 H 1 UNL111111111 0.1362 81 H 12.0379 -0.6457 -0.2372 H 1 UNL111111111 0.1362 82 H 12.5717 -0.7635 1.4416 H 1 UNL111111111 0.1370 83 H 10.7623 0.8699 2.1390 H 1 UNL111111111 0.1375 84 H 10.2329 1.0072 0.4601 H 1 UNL111111111 0.1361 85 H 9.7523 -1.4824 0.4028 H 1 UNL111111111 0.1365 86 H 10.2907 -1.6286 2.0783 H 1 UNL111111111 0.1383 87 H 8.4853 -0.0211 2.8178 H 1 UNL111111111 0.1385 88 H 7.9572 0.1757 1.1435 H 1 UNL111111111 0.1384 89 H 7.4681 -2.3098 0.9954 H 1 UNL111111111 0.1450 90 H 7.9955 -2.5219 2.6656 H 1 UNL111111111 0.1512 91 H 6.1712 -0.9481 3.4707 H 1 UNL111111111 0.1535 92 H 5.0535 -2.0979 0.8111 H 1 UNL111111111 0.1625 93 H 3.2070 -2.0932 2.8252 H 1 UNL111111111 0.1918 94 H 4.3602 0.4865 3.0642 H 1 UNL111111111 0.3136 95 H 3.3018 0.2768 0.7667 H 1 UNL111111111 0.1515 96 H 0.7305 -1.0594 1.8319 H 1 UNL111111111 0.1611 97 H 1.5735 0.1998 2.8188 H 1 UNL111111111 0.1500 98 H -0.4398 1.6309 2.1757 H 1 UNL111111111 0.1293 99 H -2.7253 0.9194 2.0331 H 1 UNL111111111 0.1546 100 H -4.3107 -0.8770 1.0520 H 1 UNL111111111 0.1714 101 H -2.8698 -1.6110 0.2187 H 1 UNL111111111 0.1254 102 H -1.9726 -1.7800 2.3805 H 1 UNL111111111 0.3224 103 H -2.8430 0.6789 -1.0964 H 1 UNL111111111 0.1557 104 H -4.9565 0.6536 -1.5607 H 1 UNL111111111 0.1276 105 H -5.8370 2.0792 -3.4057 H 1 UNL111111111 0.1395 106 H -5.9496 4.5165 -4.2367 H 1 UNL111111111 0.1433 107 H -5.2836 5.0556 -2.6417 H 1 UNL111111111 0.1404 108 H -3.4887 3.5821 -3.1852 H 1 UNL111111111 0.3467 109 H -8.0565 3.4223 -2.7905 H 1 UNL111111111 0.1620 110 H -6.3998 4.1605 -0.6287 H 1 UNL111111111 0.3319 111 H -7.7046 0.9623 -2.0397 H 1 UNL111111111 0.1387 112 H -9.7845 0.4027 -1.5494 H 1 UNL111111111 0.1163 113 H -10.3152 -1.5141 -0.0448 H 1 UNL111111111 0.1385 114 H -9.1453 -0.7077 2.7057 H 1 UNL111111111 0.1484 115 H -10.2878 -2.1008 2.5923 H 1 UNL111111111 0.1610 116 H -7.8172 -1.8836 1.2327 H 1 UNL111111111 0.3245 117 H -12.3683 -1.0398 1.4450 H 1 UNL111111111 0.1644 118 H -11.0694 1.3540 2.1926 H 1 UNL111111111 0.3495 119 H -12.4485 0.0521 -0.8473 H 1 UNL111111111 0.1493 120 H -13.2476 1.7707 1.2547 H 1 UNL111111111 0.3419 121 H -11.4674 2.3594 -1.1845 H 1 UNL111111111 0.1531 122 H -10.1503 3.0941 0.7215 H 1 UNL111111111 0.3535 123 H -6.6222 2.2175 0.6074 H 1 UNL111111111 0.1643 124 H -7.6332 0.0812 0.5273 H 1 UNL111111111 0.3498 125 H -2.4477 3.3119 0.4702 H 1 UNL111111111 0.1609 126 H -1.6807 3.8269 -1.6507 H 1 UNL111111111 0.3321 127 H -0.0797 1.8973 -0.9286 H 1 UNL111111111 0.1589 128 H 0.9342 3.4144 0.5293 H 1 UNL111111111 0.3316 129 H 2.6814 -1.1970 -0.8451 H 1 UNL111111111 0.3104 130 H 1.3317 -3.1426 -1.7302 H 1 UNL111111111 0.1600 131 H 2.9159 -3.8747 -1.4108 H 1 UNL111111111 0.1670 132 H 1.7868 -5.5170 0.2032 H 1 UNL111111111 0.1594 133 H 0.2244 -4.8201 -0.2049 H 1 UNL111111111 0.1517 134 H 0.6276 -5.3994 -2.6721 H 1 UNL111111111 0.1345 135 H 2.1690 -6.1389 -2.2287 H 1 UNL111111111 0.1348 136 H 0.9552 -7.7495 -0.6879 H 1 UNL111111111 0.1401 137 H -0.5862 -7.0093 -1.1274 H 1 UNL111111111 0.1397 138 H -0.1694 -7.6106 -3.5673 H 1 UNL111111111 0.1345 139 H 1.3585 -8.3674 -3.1141 H 1 UNL111111111 0.1354 140 H 0.1075 -9.9614 -1.5769 H 1 UNL111111111 0.1353 141 H -1.4194 -9.2075 -2.0450 H 1 UNL111111111 0.1348 142 H -0.9997 -9.8649 -4.4630 H 1 UNL111111111 0.1415 143 H 0.5230 -10.6259 -3.9889 H 1 UNL111111111 0.1421 144 H -1.0108 -11.2782 -3.4028 H 1 UNL111111111 0.1412 @BOND 1 1 2 1 2 1 64 1 3 1 65 1 4 1 66 1 5 2 3 1 6 2 67 1 7 2 68 1 8 3 4 1 9 3 69 1 10 3 70 1 11 4 5 1 12 4 71 1 13 4 72 1 14 5 6 1 15 5 73 1 16 5 74 1 17 6 7 1 18 6 75 1 19 6 76 1 20 7 8 1 21 7 77 1 22 7 78 1 23 8 9 1 24 8 79 1 25 8 80 1 26 9 10 1 27 9 81 1 28 9 82 1 29 10 11 1 30 10 83 1 31 10 84 1 32 11 12 1 33 11 85 1 34 11 86 1 35 12 13 1 36 12 87 1 37 12 88 1 38 13 14 1 39 13 89 1 40 13 90 1 41 14 15 2 42 14 91 1 43 15 16 1 44 15 92 1 45 16 17 1 46 16 18 1 47 16 93 1 48 17 94 1 49 18 19 1 50 18 54 1 51 18 95 1 52 19 20 1 53 19 96 1 54 19 97 1 55 20 21 1 56 21 22 1 57 21 52 1 58 21 98 1 59 22 23 1 60 23 24 1 61 23 26 1 62 23 99 1 63 24 25 1 64 24 100 1 65 24 101 1 66 25 102 1 67 26 27 1 68 26 50 1 69 26 103 1 70 27 28 1 71 28 29 1 72 28 48 1 73 28 104 1 74 29 30 1 75 30 31 1 76 30 33 1 77 30 105 1 78 31 32 1 79 31 106 1 80 31 107 1 81 32 108 1 82 33 34 1 83 33 35 1 84 33 109 1 85 34 110 1 86 35 36 1 87 35 48 1 88 35 111 1 89 36 37 1 90 37 38 1 91 37 46 1 92 37 112 1 93 38 39 1 94 39 40 1 95 39 42 1 96 39 113 1 97 40 41 1 98 40 114 1 99 40 115 1 100 41 116 1 101 42 43 1 102 42 44 1 103 42 117 1 104 43 118 1 105 44 45 1 106 44 46 1 107 44 119 1 108 45 120 1 109 46 47 1 110 46 121 1 111 47 122 1 112 48 49 1 113 48 123 1 114 49 124 1 115 50 51 1 116 50 52 1 117 50 125 1 118 51 126 1 119 52 53 1 120 52 127 1 121 53 128 1 122 54 55 am 123 54 129 1 124 55 56 2 125 55 57 1 126 57 58 1 127 57 130 1 128 57 131 1 129 58 59 1 130 58 132 1 131 58 133 1 132 59 60 1 133 59 134 1 134 59 135 1 135 60 61 1 136 60 136 1 137 60 137 1 138 61 62 1 139 61 138 1 140 61 139 1 141 62 63 1 142 62 140 1 143 62 141 1 144 63 142 1 145 63 143 1 146 63 144 1