@MOLECULE (5r,6r,9s,13r)-5,13-diethyl-9-methyl-14-oxoazacyclotetradecan-6-yl 3-amino-3,6-dideoxy-alpha-l-talopyranoside 77 78 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8744 1.2307 0.1880 O.3 1 UNL1111111111 -0.4867 2 O -1.9073 -0.9187 1.0850 O.3 1 UNL1111111111 -0.4341 3 O -4.7228 -0.2915 1.5252 O.3 1 UNL1111111111 -0.5645 4 O -4.0698 -2.6603 0.3615 O.3 1 UNL1111111111 -0.5593 5 O 2.2776 -2.0505 -1.8697 O.2 1 UNL1111111111 -0.5394 6 N -5.4856 -0.7297 -1.1387 N.3 1 UNL1111111111 -0.6466 7 N 2.6505 0.1689 -1.6858 N.am 1 UNL1111111111 -0.6231 8 C -0.4690 1.3736 0.3783 C.3 1 UNL1111111111 0.1325 9 C -0.0235 2.2419 -0.8224 C.3 1 UNL1111111111 -0.1197 10 C -0.2066 1.9866 1.7635 C.3 1 UNL1111111111 -0.3343 11 C -2.5323 0.3261 1.0419 C.3 1 UNL1111111111 0.2923 12 C 1.2425 2.4203 1.9913 C.3 1 UNL1111111111 -0.2859 13 C -0.4415 1.5826 -2.1514 C.3 1 UNL1111111111 -0.2775 14 C -3.9724 0.2934 0.4755 C.3 1 UNL1111111111 0.0846 15 C 2.2709 1.2893 1.7936 C.3 1 UNL1111111111 -0.0812 16 C -4.0563 -0.5569 -0.8130 C.3 1 UNL1111111111 -0.0624 17 C -3.3485 -1.9193 -0.5872 C.3 1 UNL1111111111 0.0593 18 C -0.6298 3.6562 -0.7490 C.3 1 UNL1111111111 -0.2600 19 C -1.9003 -1.6713 -0.1222 C.3 1 UNL1111111111 0.0857 20 C 2.0615 0.1570 2.8131 C.3 1 UNL1111111111 -0.2815 21 C 0.2839 0.2770 -2.4786 C.3 1 UNL1111111111 -0.3025 22 C 2.8887 -1.1010 2.5070 C.3 1 UNL1111111111 -0.2682 23 C 2.5425 -1.7265 1.1478 C.3 1 UNL1111111111 -0.2718 24 C 3.6809 1.8833 1.9081 C.3 1 UNL1111111111 -0.4583 25 C 3.5521 -1.3303 0.0519 C.3 1 UNL1111111111 -0.1978 26 C 1.7748 0.4569 -2.8281 C.3 1 UNL1111111111 -0.0544 27 C 0.1259 4.6462 -1.6352 C.3 1 UNL1111111111 -0.4459 28 C -1.1881 -2.9623 0.2516 C.3 1 UNL1111111111 -0.4609 29 C 2.7754 -1.1383 -1.2423 C.2 1 UNL1111111111 0.5768 30 C 4.6126 -2.4212 -0.1587 C.3 1 UNL1111111111 -0.2487 31 C 5.7524 -1.9219 -1.0451 C.3 1 UNL1111111111 -0.4451 32 H -0.0017 0.3639 0.3132 H 1 UNL1111111111 0.1314 33 H 1.0874 2.3198 -0.7842 H 1 UNL1111111111 0.1326 34 H -0.4966 1.2503 2.5408 H 1 UNL1111111111 0.1518 35 H -0.8822 2.8522 1.9167 H 1 UNL1111111111 0.1520 36 H -2.4912 0.6509 2.1054 H 1 UNL1111111111 0.1475 37 H 1.4905 3.2605 1.3134 H 1 UNL1111111111 0.1387 38 H 1.3404 2.8309 3.0155 H 1 UNL1111111111 0.1408 39 H -0.2897 2.3032 -2.9784 H 1 UNL1111111111 0.1349 40 H -1.5355 1.3941 -2.1260 H 1 UNL1111111111 0.1522 41 H -4.3543 1.3230 0.2947 H 1 UNL1111111111 0.1481 42 H 2.1347 0.8687 0.7703 H 1 UNL1111111111 0.1283 43 H -3.5453 0.0063 -1.6347 H 1 UNL1111111111 0.1562 44 H -3.3783 -2.5621 -1.4925 H 1 UNL1111111111 0.1433 45 H -0.6213 4.0245 0.2945 H 1 UNL1111111111 0.1392 46 H -1.7001 3.6160 -1.0338 H 1 UNL1111111111 0.1488 47 H -1.3376 -1.0940 -0.8921 H 1 UNL1111111111 0.1316 48 H 0.9878 -0.1202 2.8444 H 1 UNL1111111111 0.1486 49 H 2.3044 0.5209 3.8286 H 1 UNL1111111111 0.1358 50 H 0.1880 -0.4475 -1.6434 H 1 UNL1111111111 0.1611 51 H -0.2242 -0.2134 -3.3332 H 1 UNL1111111111 0.1447 52 H 2.7078 -1.8443 3.3084 H 1 UNL1111111111 0.1365 53 H 3.9687 -0.8730 2.5668 H 1 UNL1111111111 0.1375 54 H 2.5015 -2.8297 1.2346 H 1 UNL1111111111 0.1510 55 H 1.5127 -1.4374 0.8534 H 1 UNL1111111111 0.1532 56 H 3.8389 2.3459 2.8888 H 1 UNL1111111111 0.1473 57 H 4.4542 1.1175 1.7888 H 1 UNL1111111111 0.1436 58 H 3.8560 2.6532 1.1503 H 1 UNL1111111111 0.1374 59 H 4.0696 -0.3851 0.3433 H 1 UNL1111111111 0.1549 60 H 2.0449 -0.2422 -3.6570 H 1 UNL1111111111 0.1545 61 H 1.9807 1.4865 -3.1878 H 1 UNL1111111111 0.1331 62 H 1.1782 4.7259 -1.3412 H 1 UNL1111111111 0.1392 63 H 0.0990 4.3515 -2.6898 H 1 UNL1111111111 0.1412 64 H -0.3117 5.6486 -1.5668 H 1 UNL1111111111 0.1411 65 H -1.8483 -3.6295 0.8255 H 1 UNL1111111111 0.1724 66 H -0.8469 -3.5044 -0.6376 H 1 UNL1111111111 0.1590 67 H -0.3101 -2.7603 0.8798 H 1 UNL1111111111 0.1606 68 H -5.8646 -1.5374 -0.6564 H 1 UNL1111111111 0.2651 69 H -5.6342 -0.8540 -2.1274 H 1 UNL1111111111 0.2518 70 H -5.6764 -0.2938 1.2820 H 1 UNL1111111111 0.3391 71 H 2.9585 0.9478 -1.1319 H 1 UNL1111111111 0.3049 72 H -4.1259 -2.1418 1.2063 H 1 UNL1111111111 0.3530 73 H 4.1414 -3.3164 -0.6169 H 1 UNL1111111111 0.1601 74 H 5.0090 -2.7499 0.8205 H 1 UNL1111111111 0.1391 75 H 5.3824 -1.6055 -2.0286 H 1 UNL1111111111 0.1516 76 H 6.2759 -1.0717 -0.5964 H 1 UNL1111111111 0.1390 77 H 6.4922 -2.7116 -1.2186 H 1 UNL1111111111 0.1449 @BOND 1 1 8 1 2 1 11 1 3 2 11 1 4 2 19 1 5 3 14 1 6 3 70 1 7 4 17 1 8 4 72 1 9 5 29 2 10 6 16 1 11 6 68 1 12 6 69 1 13 7 26 1 14 7 29 am 15 7 71 1 16 8 9 1 17 8 10 1 18 8 32 1 19 9 13 1 20 9 18 1 21 9 33 1 22 10 12 1 23 10 34 1 24 10 35 1 25 11 14 1 26 11 36 1 27 12 15 1 28 12 37 1 29 12 38 1 30 13 21 1 31 13 39 1 32 13 40 1 33 14 16 1 34 14 41 1 35 15 20 1 36 15 24 1 37 15 42 1 38 16 17 1 39 16 43 1 40 17 19 1 41 17 44 1 42 18 27 1 43 18 45 1 44 18 46 1 45 19 28 1 46 19 47 1 47 20 22 1 48 20 48 1 49 20 49 1 50 21 26 1 51 21 50 1 52 21 51 1 53 22 23 1 54 22 52 1 55 22 53 1 56 23 25 1 57 23 54 1 58 23 55 1 59 24 56 1 60 24 57 1 61 24 58 1 62 25 29 1 63 25 30 1 64 25 59 1 65 26 60 1 66 26 61 1 67 27 62 1 68 27 63 1 69 27 64 1 70 28 65 1 71 28 66 1 72 28 67 1 73 30 31 1 74 30 73 1 75 30 74 1 76 31 75 1 77 31 76 1 78 31 77 1