@MOLECULE 2-methyl-n-pentylpropanamide 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.0530 -0.2563 0.5344 C.3 1 UNL111111111 -0.1503 2 C 3.5266 -1.6156 0.0196 C.3 1 UNL111111111 -0.4381 3 C 4.0856 0.8363 0.2508 C.3 1 UNL111111111 -0.4400 4 C 1.7738 0.1148 -0.2107 C.2 1 UNL111111111 0.5757 5 O 1.6642 0.0545 -1.4178 O.2 1 UNL111111111 -0.5363 6 N 0.7301 0.5716 0.5728 N.am 1 UNL111111111 -0.6207 7 C -0.5621 0.9156 -0.0294 C.3 1 UNL111111111 -0.0645 8 C -1.6496 -0.0766 0.4227 C.3 1 UNL111111111 -0.3060 9 C -3.0086 0.3248 -0.1594 C.3 1 UNL111111111 -0.2680 10 C -4.1071 -0.6263 0.3347 C.3 1 UNL111111111 -0.2482 11 C -5.4719 -0.2212 -0.2214 C.3 1 UNL111111111 -0.4396 12 H 2.8765 -0.3226 1.6336 H 1 UNL111111111 0.1395 13 H 4.4942 -1.8924 0.4513 H 1 UNL111111111 0.1474 14 H 2.8106 -2.4103 0.2569 H 1 UNL111111111 0.1462 15 H 3.6410 -1.6035 -1.0753 H 1 UNL111111111 0.1704 16 H 4.2757 0.9280 -0.8289 H 1 UNL111111111 0.1662 17 H 3.7482 1.8166 0.6060 H 1 UNL111111111 0.1461 18 H 5.0427 0.6148 0.7358 H 1 UNL111111111 0.1492 19 H 0.7800 0.5842 1.5743 H 1 UNL111111111 0.3038 20 H -0.8313 1.9545 0.2647 H 1 UNL111111111 0.1324 21 H -0.4712 0.9077 -1.1433 H 1 UNL111111111 0.1731 22 H -1.3804 -1.0993 0.0951 H 1 UNL111111111 0.1516 23 H -1.7013 -0.1144 1.5257 H 1 UNL111111111 0.1365 24 H -3.2565 1.3652 0.1220 H 1 UNL111111111 0.1363 25 H -2.9680 0.3116 -1.2655 H 1 UNL111111111 0.1433 26 H -3.8704 -1.6651 0.0350 H 1 UNL111111111 0.1362 27 H -4.1371 -0.6290 1.4406 H 1 UNL111111111 0.1318 28 H -5.7476 0.7925 0.0892 H 1 UNL111111111 0.1416 29 H -5.4818 -0.2451 -1.3170 H 1 UNL111111111 0.1445 30 H -6.2594 -0.8976 0.1288 H 1 UNL111111111 0.1397 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 2 5 4 6 am 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 6 19 1 19 7 20 1 20 7 21 1 21 8 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 11 30 1