@MOLECULE (2r,3r,4r,5s)-5-amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0691 -0.5305 -1.7383 O.3 1 UNL111111111 -0.5693 2 O -0.0103 2.1483 -1.1300 O.3 1 UNL111111111 -0.5511 3 O -3.3038 1.2540 1.1053 O.3 1 UNL111111111 -0.5503 4 O -1.5833 0.2640 2.1099 O.2 1 UNL111111111 -0.5302 5 N 2.5959 2.3858 -0.1867 N.3 1 UNL111111111 -0.6592 6 C -0.3041 -0.1271 -0.3980 C.3 1 UNL111111111 0.0926 7 C 0.4494 1.2059 -0.1865 C.3 1 UNL111111111 0.0673 8 C -1.8303 0.0732 -0.3089 C.3 1 UNL111111111 -0.2266 9 C 1.9831 1.0446 -0.3605 C.3 1 UNL111111111 0.0113 10 C -2.5873 -1.2239 -0.6847 C.3 1 UNL111111111 -0.0460 11 C 2.5756 0.1131 0.7168 C.3 1 UNL111111111 -0.3171 12 C 3.6425 -0.8369 0.1487 C.3 1 UNL111111111 -0.0584 13 C -2.5100 -2.2758 0.4247 C.3 1 UNL111111111 -0.4618 14 C -4.0484 -0.9017 -1.0108 C.3 1 UNL111111111 -0.4624 15 C -2.1759 0.5003 1.0880 C.2 1 UNL111111111 0.6495 16 C 3.0148 -1.9200 -0.7399 C.3 1 UNL111111111 -0.4573 17 C 4.4029 -1.4975 1.3062 C.3 1 UNL111111111 -0.4546 18 H 0.0408 -0.9153 0.3060 H 1 UNL111111111 0.1426 19 H 0.2076 1.6771 0.7948 H 1 UNL111111111 0.1745 20 H -2.1285 0.8803 -1.0349 H 1 UNL111111111 0.2026 21 H 2.1859 0.6380 -1.3827 H 1 UNL111111111 0.1141 22 H -2.1000 -1.6375 -1.6073 H 1 UNL111111111 0.1595 23 H 3.0247 0.7427 1.5181 H 1 UNL111111111 0.1772 24 H 1.7894 -0.4627 1.2346 H 1 UNL111111111 0.1453 25 H 4.3675 -0.2447 -0.4601 H 1 UNL111111111 0.1296 26 H -2.9426 -3.2268 0.0942 H 1 UNL111111111 0.1462 27 H -1.4769 -2.4755 0.7295 H 1 UNL111111111 0.1484 28 H -3.0590 -1.9676 1.3227 H 1 UNL111111111 0.1523 29 H -4.6155 -1.8120 -1.2328 H 1 UNL111111111 0.1458 30 H -4.1306 -0.2438 -1.8835 H 1 UNL111111111 0.1483 31 H -4.5502 -0.3960 -0.1758 H 1 UNL111111111 0.1595 32 H 1.9893 3.1148 -0.5357 H 1 UNL111111111 0.2690 33 H 3.4904 2.4489 -0.6394 H 1 UNL111111111 0.2467 34 H 2.2397 -2.4779 -0.2034 H 1 UNL111111111 0.1458 35 H 3.7703 -2.6478 -1.0610 H 1 UNL111111111 0.1491 36 H 2.5774 -1.4960 -1.6490 H 1 UNL111111111 0.1273 37 H 3.7339 -2.0862 1.9431 H 1 UNL111111111 0.1467 38 H 5.1850 -2.1695 0.9385 H 1 UNL111111111 0.1407 39 H 4.8890 -0.7485 1.9417 H 1 UNL111111111 0.1465 40 H 0.7515 -1.0647 -1.7955 H 1 UNL111111111 0.3246 41 H -0.0511 1.7373 -2.0237 H 1 UNL111111111 0.3292 42 H -3.5545 1.5671 2.0098 H 1 UNL111111111 0.3521 @BOND 1 1 6 1 2 1 40 1 3 2 7 1 4 2 41 1 5 3 15 1 6 3 42 1 7 4 15 2 8 5 9 1 9 5 32 1 10 5 33 1 11 6 7 1 12 6 8 1 13 6 18 1 14 7 9 1 15 7 19 1 16 8 10 1 17 8 15 1 18 8 20 1 19 9 11 1 20 9 21 1 21 10 13 1 22 10 14 1 23 10 22 1 24 11 12 1 25 11 23 1 26 11 24 1 27 12 16 1 28 12 17 1 29 12 25 1 30 13 26 1 31 13 27 1 32 13 28 1 33 14 29 1 34 14 30 1 35 14 31 1 36 16 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 17 39 1