@MOLECULE (2R)-N-isohexyl-2-methyl-butanamide 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.3631 -0.3311 0.6577 C.3 1 UNL111111 -0.4356 2 C 4.1031 -0.4935 -0.1892 C.3 1 UNL111111 -0.2490 3 C 2.9333 0.3362 0.3687 C.3 1 UNL111111 -0.1715 4 H 2.8681 0.1785 1.4702 H 1 UNL111111 0.1428 5 C 3.0943 1.8293 0.0801 C.3 1 UNL111111 -0.4371 6 C 1.6641 -0.1288 -0.3377 C.2 1 UNL111111 0.5720 7 O 1.5022 -0.0397 -1.5372 O.2 1 UNL111111 -0.5370 8 N 0.6964 -0.6999 0.4676 N.am 1 UNL111111 -0.6178 9 C -0.5949 -1.1090 -0.0952 C.3 1 UNL111111 -0.0650 10 C -1.7263 -0.2170 0.4489 C.3 1 UNL111111 -0.3046 11 C -3.0667 -0.6309 -0.1650 C.3 1 UNL111111 -0.2851 12 C -4.2354 0.1836 0.4234 C.3 1 UNL111111 -0.0571 13 C -4.1884 1.6394 -0.0542 C.3 1 UNL111111 -0.4529 14 C -5.5667 -0.4571 0.0083 C.3 1 UNL111111 -0.4572 15 H 5.6989 0.7118 0.6855 H 1 UNL111111 0.1445 16 H 5.2013 -0.6546 1.6917 H 1 UNL111111 0.1399 17 H 6.1887 -0.9279 0.2523 H 1 UNL111111 0.1437 18 H 4.3007 -0.1975 -1.2397 H 1 UNL111111 0.1578 19 H 3.8177 -1.5633 -0.2360 H 1 UNL111111 0.1410 20 H 3.1017 2.0232 -1.0033 H 1 UNL111111 0.1681 21 H 2.2742 2.4157 0.5087 H 1 UNL111111 0.1444 22 H 4.0333 2.2165 0.4901 H 1 UNL111111 0.1492 23 H 0.7852 -0.7326 1.4661 H 1 UNL111111 0.3038 24 H -0.5549 -1.0449 -1.2101 H 1 UNL111111 0.1733 25 H -0.7774 -2.1764 0.1596 H 1 UNL111111 0.1327 26 H -1.7721 -0.2804 1.5505 H 1 UNL111111 0.1357 27 H -1.5083 0.8427 0.2123 H 1 UNL111111 0.1523 28 H -3.0379 -0.5037 -1.2638 H 1 UNL111111 0.1457 29 H -3.2433 -1.7090 0.0099 H 1 UNL111111 0.1364 30 H -4.1630 0.1672 1.5372 H 1 UNL111111 0.1265 31 H -4.2299 1.7037 -1.1470 H 1 UNL111111 0.1477 32 H -5.0317 2.2145 0.3421 H 1 UNL111111 0.1409 33 H -3.2694 2.1392 0.2698 H 1 UNL111111 0.1426 34 H -5.6466 -1.4871 0.3712 H 1 UNL111111 0.1405 35 H -6.4179 0.1003 0.4136 H 1 UNL111111 0.1422 36 H -5.6777 -0.4790 -1.0812 H 1 UNL111111 0.1464 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 am 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 1 15 1 15 1 16 1 16 1 17 1 17 2 18 1 18 2 19 1 19 5 20 1 20 5 21 1 21 5 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 14 36 1