@MOLECULE cyclotridecyl 3,4,6-trideoxy-3-(dimethylamino)-beta-d-xylo-hexopyranoside 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2279 2.0088 -0.3838 O.3 1 UNL1111 -0.5592 2 C -2.6018 0.6463 -0.4695 C.3 1 UNL1111 0.0759 3 C -1.6531 -0.0623 0.5250 C.3 1 UNL1111 0.2950 4 O -2.1176 -1.3491 0.9137 O.3 1 UNL1111 -0.4795 5 C -3.4412 -1.3909 1.4128 C.3 1 UNL1111 0.1679 6 C -3.6455 -2.8579 1.7857 C.3 1 UNL1111 -0.4680 7 C -4.4067 -0.9387 0.3090 C.3 1 UNL1111 -0.3897 8 C -4.0880 0.5204 -0.0467 C.3 1 UNL1111 -0.0133 9 N -4.9066 1.1285 -1.1196 N.3 1 UNL1111 -0.4117 10 C -5.0439 0.2780 -2.3193 C.3 1 UNL1111 -0.2778 11 C -6.2415 1.5240 -0.6212 C.3 1 UNL1111 -0.2761 12 O -0.5049 -0.3146 -0.2344 O.3 1 UNL1111 -0.4026 13 C 0.6029 -0.8364 0.5024 C.3 1 UNL1111 0.1206 14 C 1.5160 -1.3831 -0.6087 C.3 1 UNL1111 -0.3070 15 C 2.4999 -2.4150 -0.0491 C.3 1 UNL1111 -0.2653 16 C 3.5684 -2.8188 -1.0813 C.3 1 UNL1111 -0.2686 17 C 4.9245 -2.1451 -0.8149 C.3 1 UNL1111 -0.2698 18 C 4.9116 -0.6667 -1.2236 C.3 1 UNL1111 -0.2760 19 C 5.9854 0.1493 -0.4865 C.3 1 UNL1111 -0.2738 20 C 5.5296 1.6050 -0.2921 C.3 1 UNL1111 -0.2728 21 C 4.4270 1.6918 0.7746 C.3 1 UNL1111 -0.2777 22 C 3.4893 2.8836 0.5459 C.3 1 UNL1111 -0.2685 23 C 2.1385 2.6794 1.2517 C.3 1 UNL1111 -0.2749 24 C 1.2728 1.6140 0.5590 C.3 1 UNL1111 -0.2592 25 C 1.2548 0.2866 1.3274 C.3 1 UNL1111 -0.3306 26 H -2.8817 2.5495 -0.8843 H 1 UNL1111 0.3380 27 H -2.4166 0.2938 -1.5071 H 1 UNL1111 0.1490 28 H -1.4409 0.5320 1.4358 H 1 UNL1111 0.1267 29 H -4.2275 1.1585 0.8707 H 1 UNL1111 0.1521 30 H -3.5065 -0.7308 2.3065 H 1 UNL1111 0.1126 31 H -2.9200 -3.1699 2.5481 H 1 UNL1111 0.1604 32 H -4.6516 -3.0379 2.1731 H 1 UNL1111 0.1465 33 H -3.4862 -3.5102 0.9168 H 1 UNL1111 0.1628 34 H -4.2841 -1.5935 -0.5747 H 1 UNL1111 0.1656 35 H -5.4539 -1.0470 0.6333 H 1 UNL1111 0.1488 36 H -5.6686 -0.6163 -2.1768 H 1 UNL1111 0.1218 37 H -5.4876 0.8858 -3.1270 H 1 UNL1111 0.1478 38 H -4.0493 -0.0467 -2.6676 H 1 UNL1111 0.1505 39 H -6.1237 2.2413 0.2079 H 1 UNL1111 0.1453 40 H -6.7828 2.0478 -1.4272 H 1 UNL1111 0.1464 41 H -6.8647 0.6865 -0.2749 H 1 UNL1111 0.1199 42 H 0.2467 -1.6589 1.1606 H 1 UNL1111 0.1301 43 H 0.8876 -1.8393 -1.4006 H 1 UNL1111 0.1586 44 H 2.0506 -0.5505 -1.1036 H 1 UNL1111 0.1519 45 H 0.7170 0.4164 2.2841 H 1 UNL1111 0.1365 46 H 2.2835 -0.0146 1.6026 H 1 UNL1111 0.1450 47 H 2.9878 -2.0184 0.8616 H 1 UNL1111 0.1387 48 H 1.9429 -3.3130 0.2802 H 1 UNL1111 0.1341 49 H 3.7008 -3.9171 -1.0595 H 1 UNL1111 0.1295 50 H 3.2261 -2.5867 -2.1064 H 1 UNL1111 0.1409 51 H 5.1840 -2.2477 0.2557 H 1 UNL1111 0.1353 52 H 5.7233 -2.6771 -1.3637 H 1 UNL1111 0.1283 53 H 5.0445 -0.5709 -2.3155 H 1 UNL1111 0.1317 54 H 3.9095 -0.2366 -1.0154 H 1 UNL1111 0.1543 55 H 6.2099 -0.2995 0.4986 H 1 UNL1111 0.1356 56 H 6.9351 0.1197 -1.0496 H 1 UNL1111 0.1301 57 H 6.3877 2.2368 -0.0019 H 1 UNL1111 0.1300 58 H 5.1723 2.0117 -1.2563 H 1 UNL1111 0.1383 59 H 3.8330 0.7541 0.7683 H 1 UNL1111 0.1526 60 H 4.8751 1.7470 1.7819 H 1 UNL1111 0.1290 61 H 3.9676 3.8114 0.9080 H 1 UNL1111 0.1274 62 H 3.3183 3.0386 -0.5364 H 1 UNL1111 0.1378 63 H 2.3021 2.4209 2.3127 H 1 UNL1111 0.1339 64 H 1.5902 3.6409 1.2661 H 1 UNL1111 0.1315 65 H 0.2333 1.9865 0.4377 H 1 UNL1111 0.1617 66 H 1.6224 1.4458 -0.4777 H 1 UNL1111 0.1460 @BOND 1 1 2 1 2 1 26 1 3 2 3 1 4 2 8 1 5 2 27 1 6 3 4 1 7 3 12 1 8 3 28 1 9 4 5 1 10 5 6 1 11 5 7 1 12 5 30 1 13 6 31 1 14 6 32 1 15 6 33 1 16 7 8 1 17 7 34 1 18 7 35 1 19 8 9 1 20 8 29 1 21 9 10 1 22 9 11 1 23 10 36 1 24 10 37 1 25 10 38 1 26 11 39 1 27 11 40 1 28 11 41 1 29 12 13 1 30 13 14 1 31 13 25 1 32 13 42 1 33 14 15 1 34 14 43 1 35 14 44 1 36 15 16 1 37 15 47 1 38 15 48 1 39 16 17 1 40 16 49 1 41 16 50 1 42 17 18 1 43 17 51 1 44 17 52 1 45 18 19 1 46 18 53 1 47 18 54 1 48 19 20 1 49 19 55 1 50 19 56 1 51 20 21 1 52 20 57 1 53 20 58 1 54 21 22 1 55 21 59 1 56 21 60 1 57 22 23 1 58 22 61 1 59 22 62 1 60 23 24 1 61 23 63 1 62 23 64 1 63 24 25 1 64 24 65 1 65 24 66 1 66 25 45 1 67 25 46 1